prof. vijay k. agrawalprof. vijay k. agrawalapsurewa.ac.in/resumes/bio.data-vk_delhi_.pdf · ·...

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Curriculum Vitae

of

Prof. Vijay K. AgrawalProf. Vijay K. AgrawalProf. Vijay K. AgrawalProf. Vijay K. Agrawal

M.Sc., D. Phil (Alld.) PGD (Tokyo), FICS, MNASc.

Director

National Institute of Technical Teachers’

Training And Research

Shamla Hills, Bhopal, M.P.

PIN- 462002

Web:www.nitttrbpl.ac.in

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Curriculum Vitae of Prof. Vijay Kumar Agrawal

Name and Designation: Prof. Vijay Kumar Agrawal

(1) Director,

National Institute of Technical Teachers’

Training and Research. Shamla Hills,

Bhopal. M.P.PIN 462002

(2) Professor (On leave)

Department of Chemistry,

APS University, Rewa, M.P.PIN 486003

Father’s Name: Late Sri Ram Agrawal

Date of Birth: 11th June 1957 at Allahabad

Institution: National Institute of Technical Teachers’

Training and Research. Shamla Hills,

Bhopal M.P.

Field of Specialization: Physical Chemistry, Molecular modeling

Theoretical Chemistry, QSAR Studies,

Computer Aided Drug Designing.

Contact: Director

NITTTR, Shamla Hills, Bhopal, M.P., INDIA

E-Mail: [email protected] , [email protected]

Phone: +91-755-2661216, 2661233®, Mob: 09425194556

Fax: +91-75-2661996, www.nitttrbpl.ac.in

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Academic Record:

Examination Board/University Year of Division Position % of Subject

passing Grade in merit, Marks

if any

M.Sc. Allahabad University 1980 I Second 72.4 Physical

Chemistry

PGD Tokyo Institute 1991 - Chemistry and

of Technology Chemical

Engineering

D.Phil.: Title of Thesis: “Structure-activity relationship studies in drug molecules: A

quantum mechanical approach”

Guide: Prof. Bal Krishna

Year: 1984

University: Allahabad University

Teaching and Research Experience: More than 30 years, PG teaching 25 yrs.

Member of the Academic Bodies:

* Former Member, Executive Council, APS University, Rewa

* Former Dean, Faculty of Science, APS University, Rewa

* Former Dean, Faculty of Home Science, APS University, Rewa

* Ex. Chairman Board of Studies in Chemistry, A.P.S. University, Rewa

* Ex. Member Central Board of Studies in Chemistry, MP

* Former Prof.-in-charge of Study Centre for Biochemistry, A.P.S. University, Rewa

* Ex. Member Academic Council, A.P.S. University, Rewa

* Ex. Member, Faculty of Ayurveda, APSU, Rewa

* Ex. Member of Grievances and Redressal Cell, A.P.S. University, Rewa

* Fellow and ex Council Member of Indian Chemical Society, Kolkata

* Life member of the National Academy of Sciences, India

* Life member of Indian Association of Nuclear Chemists and Allied Scientists,

* Served as Associate Editor (for two years) “J. Indian Chemical Society”

* Member, Regional Committee, AICTE, Western Region

* Member, Academic Advisory Committee of Technical Education, Govt. M.P.

* Chief Editor, Journal of Engg., Science and Management Education, NITTTR, Bhopal

Administrative Experiences

* Ex-Member, Executive Council of APS University, Rewa

* Ex-Dean, Faculty of Science, APS University, Rewa

* Ex-Dean, Faculty of Home Science, APS University, Rewa

* Ex. Dean, Students’ Welfare, APS University, Rewa , May 2005 to Feb 2007.

* Former Chairman, DPC, APS University, Rewa

* Ex Head of the Chemistry Department, APS University, Rewa

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* Ex. Prof-in Charge Centre for Biochemistry, APS University, Rewa

* Ex. Prof.-in-charge M.Phil. in Bio-chemistry, APS University, Rewa

* Acted as Joint Proctor of the APS University for many years

* Acted Coordinator, Flying Squad, A.P.S. University, Rewa, for many years

* Acted Superintendent for University Examinations, APS University, Rewa for many years.

* Acted as a Member, Unfair Means Committee of the University Exams.

* Acted as Coordinator, Central Valuation of University Examination for 2004, 2005

* Acted as Assistant Coordinator, Central Valuation of University Examination for 2001, 2002

examinations.

* Former Chief Coordinator, Central Revaluation 2004, 2006 , 2008 examinations of APSU, Rewa

* Acted as Assistant Coordinator, Revaluation Cell of the University.

* Acted as a member of the Central Purchase Committee of the University.

* Acted Convener and member of various inquiry committees of the University.

* Ex. Member Editorial Board of “Vindhya Bharti” Research Journal of APSU

* Worked as Programme Officer of NSS for more than four years.

* Worked as Director of SC/ST Coaching cell of the University.

* Worked as Coordinator Central Valuation (Science Cell) for 2003 examination of APS

University, Rewa.

* Participated in various Inspection Committees of affiliated colleges of APSU, Rewa.

* Acted as Observer in LL.B Entrance Test–2003 and 2004 conducted by APSU, Rewa.

*Ex. Member of the admission committee for Entrance admission at PG level of APSU.

* Ex. Superintendent UGC NET Examination for 2006 and 2007 examinations.

* Acted as expert for selection committees of various universities & colleges

* Acted as chairman for different NBA expert committees for accreditation of polytechnics.

* Member, BOG, CRISP, Bhopal.

* Ex-Member, Regional Committee of AICTE, for Central Region.

* Member, State level Advisory Committee for Estbment of New Polytechnic Colleges etc.

in Madhya Pradesh.

* Member, Committee for CDTP Scheme for WR of MHRD, Govt. of India.

* Member, BOG of various Govt. Polytechnics in Maharashtra and Madhya Pradesh .

* Member, BOG, MSIHMCT, Pune.

* Member, Advisory Board of Regional Science Centre, Bhopal.

* Member, Advisory Board, SCERT, Bhopal.

* Member, Standing Council, MPTEXT BOOK Corpn, Bhopal.

* Member, Advisory Board, Central Water Commission, Narmada Basin Organization, Govt. of

India, Bhopal.

Academic achievements and other related activities:

* Organized a National Seminar on “Recent Trends in Chemistry” during 2003-2004.

* Acting as referee for International Journals “Bioorganic and Medicinal Chemistry”

“Bioorganic and Medicinal Chemistry Letters”, U.K. Published by Elsevier.

* Acting as a referee for International Journal “Journal of Molecular Liquids”, Germany.

* Acting as referee for the international research Journals CBDD, Medicinal Chemistry

Research, J. Indian Chemical Society.

* Awarded UNESCO fellowship in 1990, visited Japan for one year for higher

research work, received PGD degree in Chemistry and Chemical Engineering.

* Studied Japanese language for six months.

* Delivered an invited talk on Szeged index in Romania during the International

Conference on “20 Years of Topology in Cluj. TOPMOL” from Sept 25 to 30, 2006.

* Associated with the Science Communication Programme of National Academy of

Sciences, India.

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* Acted as resource person to deliver expert lectures on Topological applications in Drug

Design at BITS, Pilani, Jai Narain Vyas University, Jodhpur, Nagpur University,

Bhagalpur University, Jiwaji University, Gwalior, Jammu University, Jammu, Allahabad

University Allahabad, DDU University, Gorakhpur.

* Delivered Plenary Lecture at 57th Indian Pharmaceutical Congress 2005 (An international

event) held at Hyderabad from Dec 2 to 4, 2005.

* Delivered Plenary Lecture at 60th Indian Pharmaceutical Congress 2008 (An international

event) held at Delhi.

* Participated in International Conference on Current Trends In Drug Discovery and

Research (CTDDR) 2001, 2004, 2007 and 2010 in CDRI, Lucknow.

* Delivered expert lectures on QSAR and molecular modeling at Deen Dayal Upadhyaya

Gorakhpur University (UGC refresher course in Chemistry-2005).

* Delivered lectures in the Chemistry Department of Jiwaji University, Gwalior (MICA

programme).

* Completed Major Research Projects awarded by AICTE, CSIR and UGC, New Delhi.

* Completed three minor research projects of UGC and one is still going on

* Recipient of J.R.F and S.R.F. from CSIR, New Delhi.

* Presented research papers in many International and National Symposia and Seminars.

* Organized Science day /Weak celebrations in APS University, Rewa

* Taught Japanese language to MTA students up to 1997.

* Worked as Course Coordinator of BJMC course for more than four years.

* Ex Member of APSU, NAAC Coordination Cell.

Projects awarded:

a. Awarded major research project from AICTE on “Computer aided drug designing

and calculation of some physico-chemical parameters”; completed in June 2000.

b. Awarded a major research project by U.G.C., New Delhi on “Computer aided

designing of some anti-HIV agents”

c. Awarded a major project by CSIR New Delhi on Topological modelling of some

organic drugs

d. Awarded a Project from UGC on “ Topological Modeling of Some Protein Kinase

Inhibitors”

e. Former, Director, DRS (SAP) sanctioned by the UGC, on molecular modeling.

Publications:

a. Number of Research papers

Published in International/ National Journals: 145

b. Accepted for publication: 03

c. Communicated 10

Foreign Visits:

• Visited Japan for one year as a UNESCO Fellow in 1990-91.

• Visited Romania and delivered invited lecture on Topological Indices (International

Conference on TOPMOL 2006).

• Visited Colombo, Sri Lanka in 2009 and presented a paper on Technical Education.

• Visited Manila, Philippines in 2009 and presented a paper on vocational Education

and also chaired a session.

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BOOKs

Author:

1. Bharat Ki Sanskritik Virasat (With Mrs. Hemlata)

2. Subah Kuchh Sham Kuchh

3. Hamari Sanskritik Dharohar (With Mrs. Hemlata)

Popular Science

1. Kahan Gayee Swachchha Hawa

2. Zahreela Ho Raha Hai Pani

3. Paryavaran Aur Hum

4. Kahani Robot Ki

5. Duniya Badalne Wale Vaigyanik

6. Akash Mein Kya Hai

7. Gane Wale Panchhi

8. Pankh Se Rocket Tak

9. Saur Urja

10. A series of Science Books (Vol I to V).

11. A series of books on Computer Education (Vol I to V)

Edited

Books/ Journals

1. Mahapandit Rahul

2. Kashi Par Kahan

3. Samkaleen Kahaniyan

4. Fazal Tabish

5. Shatabdi Vimarsh : A collection of Writings of Sri Jagdish Joshi

6. Mai Nahi Jag Bolta Hai

7. Kaptan Awadhesh Pratap Singh (Monograph)

8. Vindhya Bharti (J.)

9. Sarthakta Ka Sachhya “Hiralal Nigam”

10. Yug Sakshi Harishankar Parsai

11. Pt. Urmila Prasad Shukla

12. Kamla Prasad Vyakti evam Sarjak

13. Vasudha -a literary magazine

14. Mahatwa Bhagwat Rawat (With Shailendra Shaily)

Edited Seven Books on Journalism for BJ (MC) of APS University, Rewa

Extra-curricular activities:

* Organized National Level Inter University Youth Festival in 1994-95 sponsored by

AIU, New Delhi

* Participated in Blood donation programmes of Lions Club, Rewa

* Organized a very popular national seminar on Role of Media in 21st century.

* Rajbhasha Manishi Award for 2009-2010 by Bhartiya Bhasha and Sanskritik Kendra, New Delhi

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Working with world renowned Scientists:

1. Prof. Alexandru T. Balaban , Department of Marine Sciences, Texas A&M

University at Galveston, 5007 Avenue U, Galveston,, TX 77551, United States of

America

2. Prof. Ivan Gutman, Faculty of Science, University of Kragujevac, P.O. Box 60, YU-

34000, Kragujevac, Yugoslavia,

3. Prof. M.H. Abbraham, Department of Chemistry, University College London,

20 Gordon Street, London WC1H 0AJ, UK

4. Prof. Mircea. V. Diudea, Faculty of Chemistry and Chemical Engineering, Babes-

Bolyai University, 3400Cluj, Roumania

5. Prof. Claudiu T Supuran, University of Florence, Dipartimento di Chimica,

Laboratorio di Chimica Bioinorganica, Via della Lastruccia, 3, Rm.188, Polo

Scientifico,50019-Sesto Fiorentino (Firenze), Italy.

References Cited in Books:

1. Drug Design of Zinc-Enzyme Inhibitors: Functional, Structural, and Disease

By Claudiu T. Supuran, Jean-Yves Winum

John Wiley and Sons, New Jersey, 2009

2. In Silico Toxicology

By Mark Cronin, Judith Madden, Royal Society of Chemistry

3. Molecular descriptors for chemoinformatics: Volumes 1-2

Roberto Todeschini, Viviana Consonni - 2009 , Wikley VCH, Weinheim, 2009

4. QSAR and molecular modeling studies in heterocyclic drugs: Volume 2

Satya Prakash Gupta, Raman Bahal , Springer-Verlag, 2006

5. Combating the threat of pandemic influenza: drug discovery approaches

Paul F. Torrence Wiley Interscience, 2007.

6. Molecular topology and its applications,

M.V. Diudea, M.S. Florescn, P.V. Khadikar, EFICON Press: Bucarest. (2006)

7. High energy density material

Thomas M. Klapötke, Springer, 2007

8. Mathematical reviews: Volume 34

American Mathematical Society – 2002

9. Quantitative structure-activity relationship (QSAR) models of mutagens and

carcinogens

Romualdo Benigni, CRC Press, 2003

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LIST OF PUBLICATIONS OF DR. VIJAY K. AGRAWAL

1. QSAR Studies on antituberculotic N1-cyclopropyl quinolones using Szeged index (Sz)

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar

Indian J. Chem., 38A,1203-1208, 1999.

2. Novel application of Wiener vis-a-vis Szeged indices: Antituberculotic activities of

quinolones


Proc. Indian Acad. Sci., (Chem. Sec.)112, 137-1146, 2000.

3. Topological effect of substitution on antituberculotic activities of quinolones


Proc. Nat. Acad. Sci., Sec. A (Phys Sec.) 69(A)II,145-154(1999).

4. Novel substitution constatnt for QSAR studies

Vijay K. Agrawal, S. Bano, K. C. Mathur, P. V. Khadikar and S. Karmarkar

Nat. Acad. Sci. Letters 22, 55-59 (1999)

5. Study of inhibition of DNA synthesis by hydroxyurea(s)


Proc. Indian Acad. Sci., (Chem. Sec.) 111, 697-708 (1999)

6. Topological QSAR studies on antifungal benzoxazoles

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava

Indian J. Chem., 38(A), 745-752 (1999).

7. Topological studies on benzodiazepine receptor binding

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava

J. Indian Chem. Soc. , 77,133-136 (2000)

8. QSAR studies on antiasthmatic agents

Shailja Sachan, Shahnaz Bano,Vijay K. Agrawal, P. V. Khadikar , A.K. Srivastava

Nat. Acad. Sci. Letters, 22, 119-124 (1999).

9. Use of Szeged index in the study of alkylpyrazine odor modulators: Specific anosmia

Manorama Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar, S. Karmarkar

Bulgarian Chemistry and Industry,73, 5-10 (2002)

10. QSAR studies on a series of 4-quinolinecarbinolamine antimalarials

Vijay K. Agrawal, Sangeeta Sinha and Padmakar V. Khadikar

Indian J. Chem., 39B, 472-474 (2000).

11. QSAR studies on some antimalarials

Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar

Oxid. Commun., 22, 479-486 (1999).

12. QSAR studies on some antimalarials:Substituted phenyl analogues and their

Nw-oxides

Vijay K. Agrawal , Ruchi Sharma

and Padmakar V. Khadikar

Bioorg. Med. Chem., 10, 1361-1366 (2002).

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13. On homo-lumo energies and charge densities of 2-acetylpyridine

1-oxide thiosemicarbazone

Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar

Oxidation Communication, 24, 16-20 (2001)

14. QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamides

Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar

Acta Microbiologic, 48, 17-26 (2001)

15. QSAR studies on antimalarial activities of 2-phenyl-4-quinoline-carbinolamines

Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar

Pol. J. Pharmacol. 51, 517-523 (1999).

16 QSAR studies on antimalarial activities of 5-phenoxyprimaquines

Vijay K. Agrawal , P.V. Khadikar

Oxid. Comm. 26,179-185 (2003)

17. On the Szeged index of monocyclic graphs

P. V. Khadikar, P.P.Kale, N.V. Deshpande and V. K. Agrawal

J. Indian Chem Soc, 77,449-452 (2000)

18. QSAR analysis of antibacterial activity of some 4-aminodiphenyl sulfone

derivatives

Vijay K. Agrawal ,Shahnaz Bano and Padmakar V. Khadikar

Acta Microbiologica- 50, 385-393 (2003)

19. Szeged indices of hexagonal chains

P.V. Khadikar , P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. Agrawal

MATCH, 43, 7-15 (2001).

20. Comparative study of the Balaban, Schultz, and Padmakar-Ivan indices of

Polychlorinated Biphenyls

P.V. Khadikar , V.K. Agrawal, S. Karmarkar

Oxid. Comm.27, 17-22 (2004)

21. Novel estimation of the edge-shift in X-ray absorption discontinuity by the Harary

index (H)

S. Joshi, S. Singh, V.K. Agrawal, K.C. Mathur, S. Karamarkar and P.V. Khadikar

Nat. Acad. Sci. Letters., 22, 159-167 (1999).

22. Electron spin resonance in phen-adducts of copper(II)-salicylhydroxamates

S. Karamarkar, P.V. Khadikar, S.Singh, V.K. Agrawal, K.C. Mathur and T. Ghadarian


23. Modelling of anti-HIV-1 drugs: acyclouridine derivatives

Vijay K. Agrawal and Padmakar V. Khadikar

Oxidation Communication. 25,481-492 (2002)

24. Relationships and relative correlation potential of the Wiener, Szeged, and PI indices.

Padmakar V Khadikar, Sneha Karmarkar and Vijay K Agrawal

Nat. Acad. Sci. Letters, 23, 165-170 (2000)

25. Quantitative structure-activity analysis of {ββββ(Arorylamino)ethyl} piperazines

and piperidines, A class of potent H1 antagonists,

D.K. Gupta, A.K. Srivastava and V.K. Agrawal,

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Oxidation Communication, 16, 74 (1993).

26. PI Index of polyacenes and its use in QSPR

Padmakar V Khadikar Sneha Karmarkar and Vijay K. Agrawal


27. QSAR studies on anti-inflammatory 4,5-diaryl-pyrroles

Vijay K. Agrawal Suja Joseph Padmakar V Khadikar Sneha Karmarkar

Acta Pharm. 50, 281, 2000

28. QSAR studies on some anti-HIV-1 drugs: deoxy analogues of HEPT(1)

Vijay K. Agrawal, Jyoti Singh, Sneha Karmarkar and Padmakar V. Khadikar

Bulg. Chem. Ind. In Press

29. Stability of antiferroelectricity and causes for its appearance in SmCαααα* and SmCA*

phases of a chiral smectic liquid crystal, MHPOBC,

Yoichi Takanishi, Kazuyuki Hiraoka, Vijay. K. Agrawal, Hideo Takezoe,

Atsuo Fukuda and Mitsugu Matsushita,

Jap. J. Appl. Phys., 30(9A) 2023 (1991).

30. Topological estimation of proton-ligand formation constants: A multivariate analysis

S. Karmarkar, P.V. Khadikar, M. Mandloi, S. Joshi,V. K. Agrawal and S.Bano

Indian J. Chem. Sec A 40A, 12-22 (2001).

31. QSAR study on quinolone antibacterials

Vijay K. Agrawal , Padmakar V. Khadikar

Bulg. Chem. Ind. In Press

32 Novel PI indices of hexagonal chains

P. V. Khadikar, P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. Agrawal

J. Math.Chem., 29, 143-150 (2001).

33. QSAR study on a new class of potent H1 antagonists

V.K. Agrawal, Shailja Sachan and P.V. Khadikar

Nat. Acad. Sci. Letters, 24,16 ( 2001).

34. Estimation of anti-tuberculosis activity of the quinolones by Harary index

S.Karmarkar, G. S. Thakaral, V.K. Agrawal, K.C. Mathur and P.V. Khadikar

Nat. Acad. Sci. Letters, 22, 207 (1999).

35. On the Szeged indices of [N]-cycles and monocycles containing

acyclic side chains

P.V. Khadikar,S.Karmarkar, V. K Agrawal, M. Mandloi and S. Joshi

Nat. Acad. Sci. Letters, 23, 50-56 (2000).

36. Topological estimation of proton-ligand formation constants of potential antitumor

agents : Salicylhydroxamic acids

S. Karmarkar, P. V. Khadikar, V. K Agrawal, K.C. Mathur , M. Mandloi, S. Joshi

Proc. Indian Acad. Sci. (Chem. Sec.), 112, 43-49 (2000).

37. Topological potential of zwitterion analogues of cimetidine as H2-receptor antagonists

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar

Pol. J. Pharmacol., 52, 39-46 (2000).

38. QSAR study on a new class of airway selective steroids for the treatment of asthma


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Oxidation Comm, 25, 184 (2002)

39. On the role of molecular connectivity in IOC- ω ω ω ω Technique,

D.K. Gupta, V.K. Singh, A.K. Srivastava and Vijay Agrawal,

Indian J. Chem., 60 (A), 263 (1990).

40. Studies on flavins as potential antimalarials

Vijay K. Agrawal , Ruchi Sharma and Padmakar V. Khadikar

Oxid. Communication, 26,186 (2003).

41. QSAR study on antiviral activity of ester prodrugs of

6-methoxypurine arabinosides

Vijay K. Agrawal , Ruchi Sharma and P. V. Khadikar

Indian J. Chem., 41A, 1163-1166(2002).

42. QSAR studies on anti-HIV-1 activity of 1-alkoxy-5-alkyl-6-(arylthio) uracils

Vijay K. Agrawal , and P. V. Khadikar

Bulg. Chem Ind., 73, 11-16 (2002)

43. QSAR studies on antihypertensive thiadiazoles

Vijay K. Agrawal , Shahnaz Bano and P. V. Khadikar

Nat. Acad. Sci. Letters, 23, 21-27, (2000).

44. QSAR study on antihypertensive activity of a series of alkyl

N-[diphenyl alkyl]aminoalkyl-4-aryl-1,4-dihydro-2,6-dimethyl

pyridine-3,5 di-carboxylats

Vijay K. Agrawal, Padmakar V. Khadikar

Oxi. Commun. 26, 1-8(2003)

45. QSAR modeling of antihypertensive thiadiazoles

Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar


46. Role of molecular redundancy in developing QSAR model:A case of new class of

nonsteroidal anti-inflammatory agents

Vijay K. Agrawal , Suja Joseph and P. V. Khadikar


47. Quantitative structure-activity (QSAR) studies on nonulcerogenic

anti-inflammatory agents

Vijay K. Agrawal and P. V. Khadikar

Bulg. Chem. Commun. 34,35-44, (2002).

48. QSAR studies on histamine H3-receptors: Iodoproxyfan compounds and

Na-alkylated histamine derivatives

Vijay K. Agrawal , Shailja Sachan , Sneha Karmarkar and Padmakar V. Khadikar


49. On the Topological Estimation of Chromatographic Capacity Factor (Ki)

Vijay K. Agrawal and Padmakar. V. Khadikar

Revue Roumaniae de Chemie, 48,795-800(2003)

50. QSAR studies on acylated histamine derivatives

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Bioorg. Med Chem., 9, 2787-2792 (2001)

51. QSAR studies on antihistaminic activity of some thiazolidine-4-ones

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar

Acta Pharm., 50, 281-290, (2000).

52. Estimation of antihypertensive activity of 2-aryl-imino-imidazolidines

using Szeged index.

M. Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar and S. Karmarkar

Oxidation Communcation, 25, 193 (2002)

53. QSAR study on phenoxyalkyl imidazoles as potent H3-receptor histamine antagonists

Vijay K. Agrawal , Shailja Sachan , Padmakar V. Khadikar and S. Karmarkar

Acta Pharm., 51, 189-199 (2001).

54. HOMO & LUMO Energy values for bases of nucleic acids,

K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,

Indian J. Pure Appl. Phys., 21, 670 (1983).

55. Multivariate analysis for modelling some antibacterial agents

Vijay K. Agrawal, Kamlesh Mishra and Padmakar V. Khadikar

Oxidation Communication, 26,14-21, (2003).

56. Search for unique set of parameters in IOC-ωωωω Technique,

K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,

Indian J. Pure Appl. Phys., 20 , 994 (1982).

57. QSAR analysis of indolealkylamine receptor binding using Szeged index

Manorama Mandloi , Vijay K. Agrawal , Keshav C. Mathur

, Sneha Karmarkar

Padmakar V. Khadikar

Acta Pharma , 50, 303-313, (2000).

58. QSAR modelling of anti-inflammatory activity of a new series of tetracyclic

carboxamides


Oxi. Commun., 26,168 (2003).

59. QSAR studies on anti-hypertensive activity of 4-(diarylmethyl)-N-substituted-

piperadines

Vijay K. Agrawal, Rajneesh C Srivastava and Padmakar V. Khadikar

Acta Pharma, 51, 117-130 (2001).

60. QSAR studies on some antimalarial sulfonamides

Vijay K. Agrawal, Ravindra Srivastava and Padmakar V. Khadikar

Bioorg. Med.Chem., 9, 3287-3293 (2001)

61. QSAR study using distance-based topological indices

P. V. Khadikar, S. Karmarkar, K. Gaur, S. Singh and Vijay K Agrawal

Oxi. Commun., 27, 1-11(2004)

62. A Novel PI index and its applications to QSPR/QSAR studies

P. V. Khadikar, S. Karmarkar and Vijay K Agrawal

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J. Chem. Inf. Comput. Sci., 41, 934-949 (2001)

63. QSAR studies on some anti-HIV agents: HEPT analogues

Vijay K. Agrawal, Kamlesh Mishra, Ruchi Sharma and Padmakar V Khadikar

J Chem Sc. 116, 93-99(2004)

64. Topological modelling of binding affinity of 1-phenyl-3-amino-1, 2, 3,

4-tetrahydronaphthalenes as ligands for histamine H1 receptors

Vijay K. Agrawal , Shailja Sachan, Sanjeev Chaturvedi and Padmakar V Khadikar

Proceedings of the Nat. Acad. Sci. India 73, 283-296 (2003).

65. QSAR study on binding affinity of PATs (rodenticides) to the [3H]-mepyramine-

labeled H1 receptor in rat and guinea pig brain

Vijay K. Agrawal, Sanjay Karmarkar and Padmakar V Khadikar

SAR - QSAR Environ. Res.12, 529-545 (2001).

66. On the modelling of competition binding of rodenticides (PATs) to

H1 receptor in rat and guinea pig brain

Vijay K Agrawal, Sanjay Karmarkar and P. V. Khadikar,

Bioorg. Med. Chem. 10, 2913-2918 (2002).

67. On narcotic mechanism of action and toxicity: A molecular connectivity

approach to vibrio fischeri toxicity testing


Bioorg. Med. Chem. 10, 3517-3522 (2002).

68. QSAR studies on the toxicity of insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur P. V Khadikar

Bulg. Chem. Ind. 73, 99-103 (2002).

69. QSAR study on toxicity of insecticides:

A molecular connectivity approach

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V Khadikar

Sci and Culture 69,16-19, (2003).

70. Novel Method for the Estimation of Toxicity of Insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V Khadikar

Sci and Culture. 69, 277-279, (2003).

71. QSAR Prediction of toxicity of nitrobenzenes.

Vijay K. Agrawal, Padmakar V. Khadikar,

Bioorg Med. Chem., 9, 3035-3040 (2001)

72. Novel topological studies on crown compounds : Wiener indices

of thia-crowns

Padmakar V. Khadikar, Sneha Karmarkar and Vijay K. Agrawal

Oxid. Commu. 28, 799-809 (2005).

73. QSAR studies on Anti-tuberculotic Activity

Sneha Karmarkar, K. Gaur, S. Singh, Vijay K. Agrawal,

Keshav C. Mathur and Padmakar V. Khadikar

Oxid, Commun. 27, 12-16(2004)

74. QSAR Study on Inhibition of Brain 3-Hydroxy-anthranilic acid

14

(3-HAO): A Molecular Connectivity Approach

Vijay. K. Agrawal, Rashmi Sohgaura and Padmakar. V. Khadikar

Bioorg. Med. Chem., 9, 3295-3299 (2001)

75. Estimation of antitumor activity of sulfonimidamide analogous of oncolytic

sulfonylureas

Anupam Saxena, Vijay K. Agrawal, Padmakar V. Khadikar

Oxid. Commun. 26,9-13, (2003)

76. Thermal characterization of macrocyclic cation complexes:

Gadolinium (III) complex with Dibenz0-18-crown-6.

Padmakar V. Khadikar and Vijay K. Agrawal

Oxidation Communication, 28, 810-818 (2005).

77. Synthesis, Characterization and spectral studies on organometalic ruthenium

compounds with N, P, As and Sb donor ligands,

Subodh Kumar, P.V. Khadikar, R.K. Mehta and Vijay K. Agrawal.

Oxi. Commun. 26, 448-454 (2003).

78. Synthesis and esr studies on pyridine adducts of copper(II) salicylhydroxamates

Padmakar V. Khadikar, Vijay K. Agrawal

Oxi. Comm. 26, 619-626 (2003)

79 QSAR Studies on Carbonic Anhydrase Inhibitors:A Case of Ureido and Thioureido

Derivatives of Aromatic / Heterocyclic Sulfonamides

Vijay K. Agrawal, Ruchi Sharma and Padmakar V. Khadikar

Bioorg. Med. Chem., 10, 2993-2999 (2002).

80. QSAR Studies on Biological Activity of Piritrexim analogues against pcDHFR

Vijay K. Agrawal, Rashmi Sohgaura & P.V. Khadikar

Bioorg. Med. Chem. 10, 2919-2926 (2002).

81. Quantitative Structure-Activity Relationship Studies On 5-Phenyl-3-Ureeido-1,5-

Benzodiazepine as Cholecystokinin-A Receptor Antagonists

Vijay K. Agrawal, Ruchi Sharma and Padmakar V. Khadikar

Bioorg. Med. Chem. 10, 3571-3581(2002).

82. On the Topological Evidences for Modelling Lipophilicity

Vijay K. Agrawal , Jyoti Singh and Padmakar V. Khadikar

Bioorg. Med. Chem. 10, 3981-3996 (2002).

83. Prediction of Lipophilicity of Polyacenes Using Quantitative Structure Activity

Relationships

Padmakar V. Khadikar ,Vijay K. Agrawal, Sneha Karmarkar

Bioorg. Med. Chem. 10, 3499-3507, (2002).

84. Modelling of Carbonic Anhydrase Inhibitory Activity of Sulfonamides Using

Molecular Negentropy

Vijay K Agrawal, and Padmakar V Khadikar

Bioorg. Med. Chem. Letters 13, 447-453 (2003).

85. Use of distance-based topological indices in modelling antihypertensive activity : Case of

2-aryl-imino-imidazolidines

Vijay K. Agrawal, Sneha Karmarkar, P. V. Khadikar , Shachi Shrivastava, I..Lukovits

Indian J. Chem. (Sec A) 42A, 1426-1435 (2003).

15

86. QSAR Study on Tadpole Narcosis

Vijay K. Agrawal, S. Chaturvedi, P.V. Khadikar, M.H. Abraham

Bioorg. Med. Chem. 11:20:4523-4533(2003)

87. Equalized electronegativity and topological indices: Application for modeling toxicity

of nitrobenzene derivatives

Padmakar V.Khadikar, Istvan Lukovits, Vijay K.Agrawal, Shachi Shrivastava,

Mona Jaiswal, Ivan Gutman

, Sneha Karmarkar & Anjali Shrivastava

Indian J. Chem. (Sec A)- 42A, 1436-1441 (2003).

88. Topological Approach to Quantifying Molecular Lipophilicity of Heterogeneous Set of

Organic Compounds


Bioorg. Med. Chem. 11, 4039-4047 (2003).

89. QSAR Study on 5,6-Dihydro-2-pyrones as HIV-1 Protease Inhibitors

Vijay K Agrawal, Jyoti Singh , Krishna C Mishra and Padmakar V. Khadikar

Arkivoc (ii) 162-177, (2006).

90. Quantitative Structure-Activity Relationship Studies on

Sulfanilamide Schiff Bases: CA Inhibitors

V.K. Agrawal, Shachi Shrivastava, P.V. Khadikar and C.T. Supuran

Bioorg. Med. Chem. 11, 5353-5362 (2003).

91. Topological Designing of 4-Piperazinylqunazolines as Antagonists of PDGFR

Tyrosine Kinase Family

Padmakar V. Khadikar, Anjali Srivastava,Vijay K. Agrawal and Shachi Srivastava

BMCL 13,3009-3014 (2003).

92. QSAR Study on 5-Lipoxygenase Inhibitors Using Distance-Based Topological

indices


Bioorg. Med. Chem. 11, 5519-5527 (2003).

93. QSAR study on carbonic anhydrase inhibitors: aromatic/heterocyclic sulfonamides

containing 8-quinoline-sulfonyl moieties, with topical activity as antiglaucoma agents.

Vijay K. Agrawal, Bano, C.T. Supuran and Padmakar V. Khadikar

Eu. J. Med. Chem., 39, 593-600 (2004).

94. QSAR Study on Phosphoramidothioate (Ace) Toxicities in Housefly

Vijay K. Agrawal, Shachi Srivastava and Padmakar V. Khadikar

Molecular Diversity, 8, 834-819 (2004).

95. QSAR Study on the Estimation of Lipophilicity Using Distance-Based Topological

Indices: Dominating Role of Equalized Electronegativity

Vijay K. Agrawal, Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar

Bioorg. Med. Chem. 13,2109-2120 (2005).

96. Quantitative structure-activity relationship studies on some antiviral and cytostaic

agents

Chhaya Pandey, K.P. Dwivedi, Gopal Das Yadav, V.K. Singh, A.K. Srivastava and

V.K. Agrawal,

Indian J. Biochem. Biophys, 26,405(1989).

16

97. On the usefulness of different off-diagonal matrix elements in IOC- ω ω ω ω Technique

D.K. Gupta, V.K. Singh, A.K. Srivastava, R.K. Gupta, A.K. Srivastava and

Vijay Agrawal

Indian J. Phys., 61B, 325 (1987)

98. Quantitative structure-activity relationship studies on some potential

antitumor agents I

D.K. Gupta, Arun Srivastava, R.K. Gupta, K.K. Tewari, A.K. Srivastava and

V.K. Agrawal,

Nat. Acad. Sci. Letters, 10, 279(1987).

99. Quantitative structure-activity relationship studies on some antiarrhythmic agents

D.K. Gupta, K.K. Tewari, Arun Srivastava, R.K. Gupta, A.K. Srivastava and V.K.

Agrawal,

Nat. Acad. Sci. Letters, 10, 239(1987).

100. QSAR Study On Carbonic Anhydrase Inhibitors: Water-Soluble Sulfonamides

Incorporating ββββ-Alanyl Moieties, Possessing Long Lasting-Intra Ocular Pressure

Lowering Properties -A Molecular Connectivity Approach

Vijay K. Agrawal, Jyoti Singh, Meghna Banerji, Madhu Gupta, Padmakar V.

Khadikar and Claudiu T. Supuran

Eur. J. Med. Chem. 40, 1002-1012 (2005).

101. QSAR Studies on Adenosine Kinase Inhibitors

Vijay K. Agrawal, Kamana Singh and Padmakar V. Khadikar

Med Chem Res. 13 (6,7) 479-496 (2004).

102. QSAR Study on Topically Acting Sulfonamides Incorporating GABA

Moieties: A Molecular Connectivity Approach

Vijay K Agrawal, Jyoti Singh, Padmakar V. Khadikar and Claudiu T. Supuran

Bioorg. Med. Chem. Letters. 16, 2044-2051, (2006).

103. Szeged index – Applications for drug modeling

Padmakar V. Khadikar,, Sneha Karmarkar, Vijay K. Agrawal, Jyoti Singh, Anjali

Shrivastava, Istvan Lukovits and Marcia V. Diudea

Letters in Drug Design & Discovery; 2, 604-624, (2005).

104. Topological molding of McGowan characteristic volume: Non-polar narcosis

Vijay K. Agrawal, Jyoti Singh, Sanjeev Chaturvedi , and Padmakar V. Khadikar

Bioinformatics Vol. III, 71-80 (2005).

105. QSAR Studies on Benzopyrans as Potassium Ion Channel Activators

Vijay K. Agrawal , Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar, CT Supuran

Eur. J. Med. Chem. 41(3), 360-366 (2006).

106. QSAR study on cytotoxic activities of a series of HEPT analogues

Vijay K Agrawal, K.C. Mishra, J. Singh, P.V. Khadikar

Letters Drug Design & Discovery 3, 129-137, (2006).

107. The Topology of Molecule and Its Lipophilicity

Vijay K. Agrawal, Jyoti Singh, Bruno Louis and Padmakar V. Khadikar

Current Computer-Aided Drug Design, (CCADD), 2, 369-403 (2006).

108. QSAR of CAI, CAII, and CA IV Inhibitory Activities: Relative Correlation Potential of

Six Topological Indices

17

Padmakar V. Khadikar , Brian W.Clare , Alexandru T. Balaban , Claudiu T Supuran

,

Vijay K. Agarwal, Jyoti Singh,

Ashok K. Joshi and Meenakshi Lakhwani

Roum. Rev. 5, 703-717 (2006)

109. Development of Quantitative structure activity relationship for a set of Carbonic

anhydrase inhibitors Inhibitors: Use of Quantum and Chemical Descriptors

Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal,

Shalini Singh, Meenakshi Lakhwani

Letters in Drug Design & Discovery 3 , 622-635 (2006).

110. First and Novel QSAR Study on Murine Recombinant Isozyme mCAXIII : Topological

Vs Structural Descriptors

Jyoti Singh, Meenakshi Lakhwani, Padmakar V. Khadikar and

Vijay K. Agrawal and Claudiu T. Supuran

Arkivoc, XIV, 103-118 (2006)

111. Modeling of inhibitory activities of sulfanil-amide schiff’s

bases using physicochemical properties

VIJAY K. AGRAWAL, JYOTI SINGH, ARUNENDRA PANDEY, PADMAKAR V. KHADIKAR


112. QSPR Correlations of Half-wave Reduction Potentials of cata-Condensed

Benzenoid Hydrocarbons.

Jyoti Singh, Shalini Singh, Shahida Meer, Vijay K. Agrawal, Padmakar V.

Khadikar and Alexandru T. Balaban

ARKIVOC, XV, 1-16 2006.

113. QSAR Studies on some anti-HIV-1 Drugs : Deoxy analogues of Hept-1

Vijay K Agrawal, Jyoti Singh, S. Karmarkar, P.V. Khadikar


114. QSAR studies on the activation of the human carbonic anhydrase cytosolic

isoforms I and II and secretory isozyme VI with amino acids and amines

Jyoti Singh, Basheerulla Shaik,Shalini Singh, Sarla Sikhima, Vijay K. Agrawal,

Padmakar V. Khadikar , and Claudiu T. Supuran,

Bioorganic & Medicinal Chemistry 15 (2007) 6501–6509

115. Comparative QSAR Study on Para-substituted Aromatic Sulphonamides as CAII

Inhibitors : Information vs Topological (distance-based and connectivity) Indices

Jyoti Singh, Basheerulla Shaik, Shalini Singh, Vijay K. Agrawal, Padmakar V. Khadikar and

Claudiu T. Supuran

Chemical Biology Drug Design-71, 244-259 (2008).

116. Topological Modelling Of Hydrophobicity Of Compounds Exhibiting Narcosis

Jyoti Singh, Vijay K. Agrawal, B. Shaik, Sanjeev Chaturvedi and Padmakar V. Khadikar

Oxidation Communication, 31, 264-274, 2008.

117. Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR Investigation

Jyoti Singh, Shalini Singh, Basheerulla Shaik, Neena Sohani, Vijay K. Agrawal,

P. V. Khadikar

Chemical Biology Drug Design-71, 230-243 (2008).

118. QSAR study on octanol-water partitioning: Dominating

role of equalized electronegativity

18

Jyoti Singh, Vinay K. Dubey, Vijay K. Agrawal, Padmakar V. Khadikar

Oxidation Communication 1, 27-43 (2008).

119. Use of Topological as well as quantum chemical parameters in modeling

antimalarial activity of 2,4-diamino-6-quinazoline sulfonamides

Vijay K. Agrawal, Jyoti Singha, Sarvendra Singh, Padmakar V.

Khadikar


120. Topological Modeling of Mutagenicity of Aromatic and Heteroaromic Amines

in Salmonella typhimurium TA98: Role of Hydrophobicity and Topological

Indices

Jyoti Singh, Vijay K. Agrawal, Padmakar V. Khadikar,

J. Indian Chem Soc.85, 517-535 (2008)

121. Topological estimation of binding affinities (δgb) for HEPT and nevirapine analogues

with HIV-1 reverse transcriptase: Molecular linearity approach

Jyoti Singh, Basheerulla Shaik, Krishna C. Mishra, Vijay K. Agrawal and


Oxidation Communication, 1, 2-12(2009).

122. Modeling of Clostridium histolyticum collagenase inhibitory activity of some

sulfonyl-l-amine hydroxamates : A molecular connectivity approach

Jyoti Singh, Izhar Ahmad , Basheerulla Shaik

, Vijay K Agrawal

and P.V. Khadikar

J Indian Chem. Soc. 86, 1197-1203 (2009).

123. QSPR and ANN Studies on Prediction of Aqueous Solubility of

Heterogeneous Set of Organic Compounds

Bruno Louis, Jyoti Singh, Basheerulla Shaik, Vijay K. Agrawal, P. V. Khadikar

International J Pure Appl. Chem., 3, 259-274 (2008)

124. Prediction Of Blood-Brain Barrier Permeation using Topological Descriptors

Jyoti Shrivastava, Jyoti Singh, Basheerulla Shaik, Vijay K Agrawal

Oxid. Comm. 4, 776-785, (2008)

125. Modeling of lipophilicity of some organic compounds using structural and

topological indices

Vijay K. Agrawal, Vinay. K. Dubey, Basheerulla Shaik, Jyoti Singh, Kamana Singh and


J Indian Chem. Soc. 86, 337-345, (2009).

126. Topological modeling of enthalpy of formation of hydrocarbons

Jyoti Singh, Vijay K. Agrawal, Sarvendra Singh and Padmakar V. Khadikar

Oxid. Comm- 1, 28-39 (2009)

127. QSAR Study on Modeling of the Rate of Gylcine Conjugation of some Benzoic Acid

Derivatives: A Topological Approach

Padmakar V. Khadikar, Jyoti Singh, Vijay K. Agrawal

Oxid. Comm- 1, 40-54(2009)

128. QSPR Study on the Estimation of Solubility of Drug-like Organic Compounds:

A Case of Barbiturates

Bruno Louis, Jyoti Singh, Basheerulla Shaik, Vijay K. Agrawal, P. V. Khadikar

CBDD, 74, 190-195(2009).

19

129. Modeling of Protease Inhibitory activity of some hydroxamates using physico-

chemical and topological parameters,

J. Singh, Izhar Ahmad, B. Shaik, R. Kumar, M. Gupta,V. K. Agrawal,

International J Pure Appl. Chem. 4, 195-203 (2009).

130. Prediction of intrinsic solubility of generic drugs using MLR, ANN and SVM analyses

Bruno Louis , Vijay K. Agrawal and Padmakar V. Khadikar

Eu. J. Med. Chem., 45(9) 4018-25(2010).

131. QSAR Studies On Some Protease Inhibitors Incorporating Sulfonyl-L-Analine

Hydroxamate Moieties

Vijay K. Agrawal, Jyoti Singh, Kamana Singh, Neelu Singh, Basheerulla Shaik

Oxid Comm 3, 631-651 (2010)

132. QSAR Study On 3-Azolylmethylindoles as Anti-Leishmanial Agents

Deepali Gupta, Vijay K. Agrawal , Jyoti Singh, Basheerulla Shaik

J. Eng. Sci. Mangt. Edu., 1, 62-69(2010)

133. Modeling angiotension II antagonist activity of 4-H, 1,2,4 triazoles

Jyoti Singh,Santosh K. Shukla, Basheerulla Shaik , Jyoti Singh

, Vijay K Agrawal,

J. Engg. Sc. Magment Ed., 2. 57-66 (2010)

134. QSAR Analysis of Mur B Inhibitors with Antibacterial Properties Discussing Role

of Physico-chemical Parameters

A.K. Srivastava, Vinay Kumar Pathak, Archana, Meetu Jaiswal, Vijay K. Agrawal

Med. Chem. Res. 2011,

135. Modeling Toxicity of Some Aromatic Compounds Towards Tetrahymena

Pyriformis Using Some Physico-Chemical Parameters

Basheerulla Shaik, Jyoti Singh, Izhar Ahmad, Venkateshwar, Vijay K. Agrawal

Oxid. Commun. 1851/12.01.2010 (Accepted)

136. Toxicity Modeling of Aliphatic Ethers Using Topological and Information Indices

Basheerulla Shaik, Jyoti Singh, Izhar Ahmad, Vijay K Agrawal

J Indian Chem. Soc 88, 2011, pp. 109-118.

137. Isolation of Isorhamnetin-3-O-α-rhamnopyranosyl (1"'→ 6")-β-glucopyranoside

from Calotropis gigantean.

Vijay Kumar Agrawal ; N. Ganesh and Sony J. Chundattu.

Natura Proda Medica, 2010, 3: 84-86.

138. Use of Balaban F and G indices in QSAR : Modeling of mutagenicity of aromatic

and hetroaromic amines

Vijay K. Agrawal , Jyoti Singh and Basheerulla Shaik

J Ind. Chem. Soc. 88, 2011, pp. 141-153.

139. Jatropha liquid gold – the alternative to diesel

V.K. Agrawal, A.S. Rocha, M. Veerachamy, S.K. Gupta

1st WIETE Annual Conference on Engineering and Technology Education, Pattaya,

Thailand, 22-25 February 2010.

20

140. Modeling Lipophilicity of 2-Furylethylene Derivatives Using Physico-

Chemical Parameters

Basheerulla Shaik , Jyoti Singh, Neelu Singh, Mamta Sharma, Satyendra Singh,

Vijay K. Agrawal

International J Pure Appl. Chem. 2011, 6, 93-99.

141. QSAR modeling of aquatic toxicity of aromatic aldehydes using artificial neural

network and multiple linear regression

Bruno Louis, Vijay K. Agrawal,

J Ind. Chem. Soc. 88, 2011, pp. 99-107

142. Prediction of antimalarial activity of some cyclic peroxy ketals using

physicochemical and topological indices.

Basheerulla Shaik , Jyoti Singh

, Vijay K Agrawal

Med. Chem. Res. Available online: DOI 10.1007/s00044-011-9721-2

143. Phytochemical investigation of calotropis procera

Sony J, Chundattu , Vijay Kumar, Agrawal , N., Ganesh

Arabian Journal of Chemistry, In Press, Accepted Manuscript,

Available online 19 February 2011

144. Success story of Padmakar-Ivan index in nano-technology and drug design

S. Pandit, H. Acharya, S. Agrawal, Vijay K. Agrawal P.V. Khadikar,

J Engg, Sc. Magmt Ed., 4, 5-11, 2011.

145. QSAR Study on 1,4-Dihydropyridine as Calcium Channel Antagonists

Jyoti Singh, Basheerulla Shaik, Santosh Kumar Shukla , Mamta Sharma, Satyendra

Singh, Vijay K. Agrawal ,

Oxid Commun. 1902/28-3-2010 (Accepted)

146. Quantitative Structure–Pharmacokinetic Relationships (QSPkR) Analysis of Volume

of Distribution Values of Anti-infective Agents in Humans Using MLR, ANN and SVM

machine learning Methods

Bruno Louis, Vijay K. Agarawal, CBDD-RA-03-11-0952. (Communicated)

147. Modeling CA-II Isozyme Inhibitory Activity of Acetazolamide/Sulfanilamide

Derivatives Using Topological and Structural Parameters.

Basheerulla Shaik , Jyoti Singh

, Vijay K Agrawal,

Current Med Chem (Communicated).

149. Role of extended connectivity in monitoring ββββ-cell KATP channel openers R/S-3,4-

dihydro-2,2-dimethyl-6-halo-4- (substituted phenylaminocarbonylamino)-2H-1-

benzopyrans

Santosh K. Shukla, Jyoti Singh, Basheerulla Shaik, Vijay K. Agrawal, P. V. Khadikar

Med Chem Res.-Communicated

150. Topological modeling of calcium channel antagonistic activity of

dihydropyridine derivatives

Jyoti Singh, Santosh K. Shukla, Basheerulla Shaik, Vijay K. Agrawal,

Oxid. Commun., 2025/15.12.2010

21

151. Modeling of Acute Toxicity by Using Topological and Structural Parameters

Basheerulla Shaik, Jyoti Singh, Izhar Ahmad, Dadan Prasad Singh, Satyendra

Singh, Neelu Singh, Vijay K Agrawal

J. Ind. Chem. Soc. (Communicated)

152. QSAR Modeling of Anticancer Activity of Benzothiazole Derivatives

Deepali Gupta, Basheerulla Shaik, Jyoti Singh, Neelu Singh, Vijay K. Agrawal

LDDD, Accepted, BSP-LDDD-2011-404

153. Modeling of the interaction of flavanoids with GABA (A) receptor with PRECLAV

(Property-Evaluation by Class Variables)

Vijay K. Agrawal, Shalini Singh, Basheerulla Shaik, Vijay K. Agrawal,

Pharmacology & Pharmacy, Commun.

154. Estimation of anti-HIV activity of HEPT analogues using graph theoretical descriptors

Vijay K. Agrawal , Basheerulla Shaik, Jyoti Singh, LDDD: Communicated

155. On Acute Toxicity to the Fathead Minnow Using a Heterogeneous Set of 408 Compounds

Basheerulla Shaik, Jyoti Singh, Vijay Agrawal, P.V.Khadikar

Toxicology, Commun.,

156. Parachore as a molecular descriptor for modeling aqueous solubility

of hazardous heterogeneous set of acyclic compounds

Basheerulla Shaik, Jyoti Singh, Vijay K. Agrawal, P.V. Khadikar

Communicated

157. On The Choice of Statistical Method and Descriptor in Identifying Outlier Molecule in

QSAR

Shweta Sharma, Basheerulla Shaik, Vijay K. Agrawal, P.V. Khadikar,

J Math. Chem.Commun.

158. Modelling of Water soluble sulfonamides incorporating ββββ-alanyl Moieties possessing

long lasting intraocular pressure lowering properties

Vijay K Agrawal, Jyoti Singh, R Shrivastava, P.V. Khadikar

Oxid. Commun. (Comunicated)

159. QSAR Modeling of Platelet Aggregation Inhibitors:

Vijay K. Agrawal, Jyoti Singh, Ravindra Shrivastava, Padmakar V. Khadikar

Oxid Commu .( Communicated).

Publications in the field of Technical Education:

1. Technical Education Program with Specialization in Renewable Energy, Need of the

Hour

Alan S Rocha, Vijay Kumar Agrawal, Shashikant Gupta, Joshua Earnest , 16th IVETA -

CPSC International Conference on ESD in TVET , Nov 3-5, 2010. Pp 106-115,

2. Innovative TVET initiatives to support sustainable economic development and poverty

reduction and the role of TVET in implementing social equity: A contemporary

perspective in context of India,

22

V.K. Agrawal and D. Singh Karaulia, IVETA conference, Colombo, Aug 2009.

3. NVEQCF: A case in perspective,

V.K.Agrawal, and D. Singh Karaulia

International Conference on “Harnessing Qualifications Framework Towards Quality

Assurance in TVET“ December 1-2, 2009, Manila, Philippines.

4. Skill Development Initiatives of Government of India,

S. Mohan, Vijay K Agrawal, R.K. Dixit,

International Conference on , “Current Initiatives and Practices in TVET for poverty

Alleviation in Asia Pacific Region” 2-5, Aug 2010, CPSC, Philippines

M.PHIL GUIDED: 20

23

LIST OF Ph. D. AWARDED UNDER THE SUPERVISION OF

PROF. VIJAY K. AGRAWAL

1. Dr. Rajesh Kumar Srivastava (1994): Search for some new potential antimalarial drugs: A

quantum mechanical approach.

2. Dr. Mrs. Madhu Srivastava (1996): Quantitative structure-activity relationship studies on

some antitumour agents

3. Dr. Pradeep Mishra (1997): Quantitative structure-activity relationship studies on some

antiviral agents using regressin analysis

4. Dr. Sunil Kumar Soni (1998): Quantitative structure-activity relationship studies on some

antifungal agents

5. Dr. Sangeeta Sinha (1999): Theoretical designing of some antimalarial drugs using some

electronic parameters

6. Dr. Shahnaz Bano (2000): “Use of quantitative structure-activity relationship study in

designing some potential bio-active drugs

7. Dr. Suja Joseph (2000): Quantitative structure activity relationship studies on some anti -

inflamatary agents

8. Dr. Shailja Sachan (2000): Quantitative structure activity relationship studies on some

antihistaminic compounds

9. Dr. Rajneesh Chandra Srivastava (2001): QSAR studies on some antihypertensive agents

10. Dr. Sanjay Mishra: Some studies on water pollution due to mining activities around mining

area of Shahdol district. (2001)

11. Dr. Kamlesh Mishra (2001): QSAR. Studies on some anti-HIV agents

12. Dr. Neelu Singh (2001): QSAR studies on some sulfa drugs

13. Dr. Ravindra Shrivastava (2002): Topological modelling of activities of some drug

molecules

14. Dr. Ruchi Sharma (2002): QSAR studies on some sulfanilamide Schiff-base inhibitor

15. Dr. Sanjeev Chaturvedi(2002): QSAR studies on nonpolar narcosis

16. Dr. Rashmi Sohgaura (2003): On the use of topological indices in QSAR studies:

A case of antitumor drugs.

17. Dr. Jyoti Singh (2003): On topological modelling of QSAR : A multivariate analysis

18. Dr. Sarvendra Singh Baghel (2003): QSAR studies on some biologically active organic

compounds.

19. Dr. Shachi Shrivastava (2004): Topological prediction of toxicity of some organic

compounds

20. Dr. Mrs. Jyoti Singh (2004): Prediction of Transport Properties Using Molecular Descriptors.

24

21. Dr. Arunendra K. Pandey (2005): QSPR studies of some sulfa drugs

22. Dr. Krishna Chandra Mishra (2005): Topological modeling of some Anti-HIV drugs

23. Dr. Mrs. Jyoti Shrivastava (2005): Use of Molecular Descriptors in Blood Brain Distribution

24. Dr. Kamana Singh (2006) : Topological modelling of some protein kinase inhibitors.

25. Dr. Meghna Banerjee (2006): QSAR studies on some CA inhibitors: Sulfa Drugs

26. Dr. Izhar Ahmad (2007): On Biological evaluation of Hydroxamic Acid's.

27. Dr. Vinay Kumar Dubey(2009) :Topological prediction of lipophilicity of some Drug.

Molecules.

28. Dr. Bruno Louis (2009): Modeling of solubilities of some organic molecules.

29. Dr. Mrs. Deepali Gupta(2009): Prediction of Biological Activity of Some Organic

Drug Molecules.

30. Dr. Santosh Shukla(2009): Computer Aided Modeling of Some Anti-hypertensive

Drugs.

31. Dr. Bashirulla Shaik(2009): Modeling of Aquatic Toxicity by Using Topological

Descriptors.

32. Dr. Venkatesh(2011) : Topological modeling of antimalarial activity of some drug

molecules.

33. Dr. Sony J. Chundattu (2011): Phytochemical and biological dosimetric analysis of

calotropis for hepeatoprotective and antioxidant potentiality.

Registered for their Ph. D.

1. Suresh Kumar (submitted)2011: Modeling of Antimicrobial Activity of Some drug

Molecules.

2. Shraddha Shrivastava (submitted)2011: Modeling of anti-HIV activity of some

HEPT derivatives.

3. Sushil Kr. Sharma: Modeling activity of some pharmacologically important organic

Molecules.

4. Pamposh Kumar: Comparative studies and group contribution based predictive

analysis of miscibility in blended macromolecular systems.

5. Neha Yadav: Topological Modeling of biological activity of some sulfa Drugs.

6. Shweta Sharma: Use of Topological and Physico-chemical parameters in prediction

of drug activity.

7. Tripti Kaushal: Topological Modeling of Some Antimalarial Agents.

8. Anita K.: QSAR studies on some organic drug molecules

References:

1. Prof. Amitabah Ghosh

2. Prof. M. K. Jain,

25

(Vijay K. Agrawal)

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