SCIENTIFIC PROGRAM

24 OCT

Opening Ceremony

18:30 - 19:30

Opening Conference (IFSC/USP)

“Medicinal Chemistry and Natural products Inspiring Neglected Tropical Disease Drug Discovery”

IFSC/USP, Brazil

19:30 - 20:30

Welcome reception

20:30 - 23:00

25 OCT

Session 1 - Overcoming the gap between academia and industry

H3D-UCT - South Africa

9:30 - 10:10

ERSILIA - UK

10:10 - 10:50

Lunch

12:00 - 13:30

Session 2: Pharmacokinetics in drug discovery

Title to be announced

University of Dundee - UK

13:30 - 14:10

"To be announced"

University of Florida - USA

14:10 - 14:50

UFRGS, Brazil

14:50 - 15:30

Coffee-break

15:30 - 15:50

Flash presentation session 1

"Leishmania braziliensis dihydroorotate dehydrogenase: New insights for the development of covalent inhibitors"

Bruna Fleck

FCFRP-USP, Brazil

15:50 - 16:05

"Chemtoolkit: A Software for Express Chemoinformatic Analysis"

Frederico Chaves

UFMG, Brazil

16:05 - 16:20

"Antiplasmodial activity assessment of the natural compound batzelladine L and synthetic derivatives as lead candidates for malaria"

Giovana Rossi Mendes

IFSC-USP, Brazil

16:20 - 16:45

"Design and Synthesis of trisubstituted 1,2,4-triazoles: structural exploration in the inhibition of GSK-3β for the treatment of Alzheimer’s Disease."

Thiago Moreira Pereira

UFRRJ, Brazil

16:45 - 17:00

Round table 1 “Challenges and opportunities for early career med chemists”

• Bianca Davids

IYCN

JP-SBQ

Elsevier

17:10 – 18:30

Poster session
(1-80)

18:30 - 20:30

26 OCT

Lunch

12:00 - 13:30

Session 4: Bioinformatics and AI toolbox in drug design

"High Accuracy modeling of PROTAC Structures"

Stony Brook university - USA

13:30-14:10

Texas University - USA

14:10 - 14:50

"LabMol InsightAI: An Intelligent Application for Accelerating Drug Discovery and Risk Assessment of Chemicals"

UFG, Brazil

14:50 - 15:30

Coffee-break

15:30 - 15:50

Round table 2 “Challenges for med chemist women in academia and Industry”

Eurofarma

Northeastern University

Ersilia - UK

17:10 – 18:30

Poster session
(81-160)

18:30 - 20:30

27 OCT

Flash presentation 2

"Integrating Virtual Screening and Experimental Approaches: Uncovering New SARS-CoV-2 PLpro Inhibitors."

Bruna Katiele de Paula Sousa

UFG, Brazil

11:00 - 11:15

“Leishmania infantum Glycogen Synthase Kinase 3-β: Design synthesis and biological evaluation of 2-aminopyridines supported by in silico studies”

Ramon Guerra de Oliveira

UNICAMP, Brazil

11:15 - 11:30

"Investigating Cross-Docking Accuracy of the DockThor Program."

Ana Luiza Martins

LNCC, Brazil

11:30 - 11:45

Lunch

12:00 - 13:30

Closing conference

"Brazilian propolis: research advances, challenges and perspectives"

FCFRP/USP, Brazil

13:30 - 15:30