8:00 am – 8:40 am

8:45 am – 8:55 am

Networking & Coffee (Gather Town)

Welcome Address (Zoom) Hendrik Luesch, Ph.D., Director, Center for Natural Products, Drug Discovery and Development (CN D

KEYNOTE

9:00 am – 9:45 am Microtubule Binding Drugs: New Opportuni es for Targeted Cancer Therapies Susan L. Mooberry, Ph.D., Department of Pharmacology, University of Texas Health Science Center

9.45 am – 9.55 am Discussion (Moderator: Hendrik Luesch)

SESSION 1 10:00 am – 12:00 pm Approaches to Small Molecules and Natural Product Chemistry

Moderator: Steve Bruner, Ph.D., Chemistry – Chemical Biology Division, University of Florida

10:00 am – 10:30 am New Methods for the Synthesis of Sulfoximine-Containing Lopchuk, Ph.D., Department of Chemistry, College of Arts and Sciences, University of South Florida

10:30 am – 11:00 am Agents Inspired by a Resveratrol Natural Product: A New Class of Molecular Probes Based All-Carbon Bridged Bicycles Salvatore Lepore, Ph.D., Department of Chemistry & Biochemistry, College of Science, Florida At University

11:00 am – 11:30 am of Combinatorial Chemistry and Diversity-Oriented Synthesis to Accelerate Drug Discovery Adel Nefzi, Ph.D., Center for Science, Florida University

11:30 am – 12:00 pm New Bioac ve Natural Products from Bacteria and Where to Find Them Sandra Loesgen, Ph.D., The Whitney Laboratory of Marine Bioscience, University of Florida

12:05 pm – 1:05 pm LUNCH & NETWORKING (GATHER TOWN)

SESSION 2 1:10 pm – 3:45 pm Cancer Pharmacology: Th Targets, Mechanisms of Drug on, and Tumor

Moderator: Brian

THURSDAY, APRIL 22

1:10 pm – 1:40 pm Extracellular Membrane-Associated Serine Proteases – of Substrates and Signaling Pathways Karl Chai, Ph.D., The Burne School of Biomedical Sciences, College of Medicine, University of Central Florida

1:40 pm – 2:10 pm Design, Synthesis, and Ev n of Liver-Specific Gemcitabine Prodrugs for ral and Purposes Zucai Suo, Ph.D., Department of Biomedical Sciences, College of Medicine, Florida State University

2:10 pm – 2:40 pm DNMT3A Directs to Stalling An -Cancer Agents Olga Guryanova, Ph.D., Department of Pharmacology & College of Medicine, University of Florida

2:40 3:10 pm Structural Basis for Control of GPCR Signaling by Endogenous Lipids ew Eddy, Ph.D., Department of Chemistry, College of Liberal Arts and Sciences, University of Florida

3:10 pm – 3:40 pm A Role for CXCR6 Antagonists in Preve Liver Disease Progression from to Hepatocellular Carcinoma Siobhan Malany, Ph.D., Department of Pharmacodynamics, College of Pharmacy, University of Florida

3:45 pm – 3:55 pm BREAK

POSTER SESSION 4:00 pm – 4:30 pm Student Poster Talks

Moderator: Alex Grenning, Ph.D., Chemistry, University of Florida

Dake Liu, Department of Medicinal Chemistry, University of Florida Jessica Mamallapalli, Department of Medicinal Chemistry, University of Florida Elijah Abraham, Department of Biology and Gene cs University of Florida Minghui Wang, Department of Chemistry, University of South Florida Tyler Alsup, Department of Chemistry, University of Florida Lobna Elsadek, Department of Medicinal Chemistry, University of Florida

4:30 pm – 6:00 pm Poster

pm –

1:10 pm – 1:40 pm Extracellular Membrane-Associated Serine Proteases – of Substrates and Signaling Pathways Karl Chai, Ph.D., The Burne School of Biomedical Sciences, College of Medicine, University of Central Florida

1:40 pm – 2:10 pm Design, Synthesis, and Ev n of Liver-Specific Gemcitabine Prodrugs for ral and Purposes Zucai Suo, Ph.D., Department of Biomedical Sciences, College of Medicine, Florida State University

2:10 pm – 2:40 pm DNMT3A Directs to Stalling An -Cancer Agents Olga Guryanova, Ph.D., Department of Pharmacology & College of Medicine, University of Florida

2:40 3:10 pm Structural Basis for Control of GPCR Signaling by Endogenous Lipids ew Eddy, Ph.D., Department of Chemistry, College of Liberal Arts and Sciences, University of Florida

3:10 pm – 3:40 pm A Role for CXCR6 Antagonists in Preve Liver Disease Progression from to Hepatocellular Carcinoma Siobhan Malany, Ph.D., Department of Pharmacodynamics, College of Pharmacy, University of Florida

3:45 pm – 3:55 pm BREAK

POSTER SESSION 4:00 pm – 4:30 pm Student Poster Talks

Moderator: Alex Grenning, Ph.D., Chemistry, University of Florida

Dake Liu, Department of Medicinal Chemistry, University of Florida Jessica Mamallapalli, Department of Medicinal Chemistry, University of Florida Elijah Abraham, Department of Biology and Gene cs University of Florida Minghui Wang, Department of Chemistry, University of South Florida Tyler Alsup, Department of Chemistry, University of Florida Lobna Elsadek, Department of Medicinal Chemistry, University of Florida

4:30 pm – 6:00 pm Poster

pm –THURSDAY, APRIL 22, continued

4 UF DRUG DISCOVERY SYMPOSIUMTH

8:00 am – 8:40 am Networking & Coffee (Gather Town)

8:45 am – 8:55 am Introduc ons to UFDDS Day 2 Events (Zoom)

Chenglong Li, Ph.D., Associate Director, Center for Natural Products, Drug Discovery and Development (CNPD3)

9:00 am – 9:45 am Data-Driven Chemistry, Small Molecule Synthesis, and Design

Connor W. Coley, Ph.D., Department of Chemical Engineering, te of Technology, Cambridge, MA

9.45 am – 9.55 am Discussion (Moderator: Chenglong Li)

SESSION 3 10:00 am – 11:25 am Drug Design and Synthesis with AI

Moderator: Chenglong Li, Ph.D., Medicinal Chemistry, University of Florida

10:00 am – 10:30 am Machine Learning for Accurate Energies and Forces in Molecular Systems. Uses in Conforma onal Searches and Free Energy

Adrian Roitberg, Ph.D., Department of Chemistry, College of Liberal Arts and Sciences, University of Florida 10:30 am – 11:00 am Enhancing the Drug Discovery Process Using Machine Learning and

Orlando Acevedo, Ph.D., Department of Chemistry, College of Arts and Sciences, University of Miami 11:00 am – 11:20 am SELFIES: A 100% Robust Molecular String for Machine Learning in Chemistry

Mario Krenn, Ph.D., Department of Chemistry, College of Arts and Science, University of Toronto

11:25 am – 11:35 am BREAK

STUDENT SHORT TALKS 11:40 am – 12:40 pm Graduate Students and Postdoctoral Fellows

Moderator: Jay McLaughlin, Ph.D., Pharmacodynamics, University of Florida

Amy Alleyne, Department of Pharmacodynamics, University of Florida Aiste Dobrovolskaite, Department of Medical University of Central Florida Elham Yaaghubi, Department of Chemistry, University of Florida Angelie Matar, Moffit Cancer Center, University of South Florida Kelton Schleyer, Department of Medicinal Chemistry, University of Florida

KEYNOTE

F R I DAY, A P R I L 2 3

FRIDAY , A P R I L 2 3 , c o n t i n u e d

TH 4 UF DRUG DISCOVERY SYMPOSIUM

Ibukun Akinyemi, Department of Pediatrics, University of Florida Pal, Department of Medicinal Chemistry, University of Florida

12:40 pm – 1:35 pm LUNCH & NETWORKING (GATHER TOWN)

SESSION 4 1:40 pm – 3:15 pm Molecular Imaging and Tools

Moderator: Lina Cui, Ph.D. Medicinal Chemistry, University of Florida

1:40 pm – 2:10 pm Cancer Targeted Fluorescence Molecular Imaging Agents for Use in Fluorescence Guided Surgery

David Morse, Ph.D., Mo Cancer Center 2:10 pm – 2:40 pm Photoswitchable Fluorophores for Bioimaging

Francisco Raymo, Ph.D., Department of Chemistry, College of Arts, and Sciences, University of Miami 2:40 pm – 3:10 pm High Performance Mass Spectrometry: Imaging in the Molecular Age of Science

Boone Pre ce, Ph.D., Department of Chemistry, College of Liberal Arts and Sciences, University of Florida

3:15 pm – 3:25 pm BREAK

SESSION 5 3:30 pm – 5:00 pm New Approaches for Targeted Therapy Development

Moderator: Guangrong Zheng, Ph.D. Medicinal Chemistry, University of Florida

3:30 pm – 4:00 pm Design, Structure and

Jianfeng Cai, Ph.D., Department of Chemistry, College of Arts and Sciences, University of South Florida 4:00 pm – 4:30 pm Chemoproteomic Ligand and Target Discovery in Cells

Chris Parker, Ph.D., Department of Chemistry, Scripps Research 4:30 pm – 5:00 pm Bioengineering Approach for Developing Exosome-Based Therapy

Mei He, Ph.D., Department of College of Pharmacy, University of Florida

5:10 pm – 5:30 pm PRESENTATION OF AWARDS & CLOSING REMARKS