SCIENTIFIC PROGRAM

24 OCT

Opening Ceremony

18:30 - 19:30

Opening Conference (IFSC/USP)

"Medicinal Chemistry, Natural Products and Drug Discovery for Neglected Tropical Diseases."

Adriano D. Andricopulo

IFSC/USP, Brazil

19:30 - 20:30

Welcome reception

20:30 - 23:00

25 OCT

Session 1 - Overcoming the gap between academia and industry

Chair: Dr. Flavio Emery – FCFRP/USP

“Drug discovery at the tip of Africa – (and the Importance of Partnerships)”

Richard Gessner

H3D-UCT - South Africa

9:30 - 10:10

"Ersilia, a hub of open-source AI/ML models for drug discovery and global health"

Gemma Turon

ERSILIA - UK

10:10 - 10:50

Plenary lecture 1

Chair: Diogo Moreira -IPGM/Fiocruz-BA

"From Chagas to COVID-19 disease: a journey of life?"

Carlos Alberto Montanari

IQSC/USP, Brazil

11:00 - 11:50

Lunch

"Os desafios da pesquisa química no Brasil" Invited participants only - BCNP auditorium"

"ACS on Campus - BrazMedChem auditorium"

12:00 - 13:30

Session 2: Pharmacokinetics in drug discovery

Chair: Floriano Paes - Fiocruz-RJ

"DMPK methodologies for the acceleration of Chagas disease drug discovery"

Kenneth MacLeod

University of Dundee - UK

13:30 - 14:10

"Using Modeling and Simulation Approaches to Inform Decisions in Drug Development and Regulatory Evaluation"

Stephan Schmidt

University of Florida - USA

14:10 - 14:50

"Pre-clinical pharmacokinetic investigation of NCE in Brazilian Universities"

Teresa Dalla costa

UFRGS, Brazil

14:50 - 15:30

Coffee-break

15:30 - 15:50

Flash presentation session 1

Chair: Gustavo H. G. Trossini - FCF-USP

"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”

Moderator: Marilia Valli - IFSC-USP

• Bianca Davids

IYCN

• Eduarda Antunes Moreira

JP-SBQ

• María José Dávila-Rodríguez

Elsevier

17:10 – 18:30

Poster session
(1-90)

18:30 - 20:30

26 OCT

Session 3: Health Innovation in Neglected and infectious diseases

Chair: Dr. Jadel Kratz-DNDi

"Neglected tropical diseases: looking to kinase inhibitors for opportunities"

Lori Ferrins

Northeastern University - USA

9:30-10:10

"Lack of in-house API production in a world devastated by pandemic and war: impact on public pharmaceutical production"

Núbia Boechat

Farmanguinhos / Fiocruz - RJ, Brazil

10:10 - 10:50

Plenary lecture 2

Chair: Elany Barbosa da Silva - UCSD

“Discovery of novel treatments for Visceral Leishmaniasis”

Peter Sjö

DNDi

11:00 - 11:50

Lunch

12:00 - 13:30

Session 4: Bioinformatics and AI toolbox in drug design

Chair: Dr. Nailton M. N. Junior - UNESP

"High Accuracy modeling of PROTAC Structures"

Stony Brook university - USA

Dima Kozakov

13:30-14:10

“Latent Generative Landscapes of protein families as roadmaps for protein functional diversity, evolution and design”

Faruck Morcos

Texas University - USA

14:10 - 14:50

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

Carolina Horta Andrade

UFG, Brazil

14:50 - 15:30

Coffee-break

15:30 - 15:50

Session 5: Innovative Methods in drug discovery

Chair: Arthur Eugen Kümmerle - UFRRJ

"Fragment-based drug discovery. A modern approach in early drug discovery for infectious diseases."

Maria Cristina Nonato

FCFRP/USP, Brazil

15:50 - 16:30

"Discovering novel clinically relevant molecular species encoded in fungal genomes using tandem MS-based metabolomics"

Fausto Carnevale Neto

Hexagon Bio - USA

16:30 - 17:10

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

Moderator: Elisabeth Magalhães -RSC

• Júlia Monteiro

Eurofarma

• Lori Ferrins

Northeastern University

• Gemma Turon

Ersilia - UK

17:10 – 18:30

Poster session
(91-180)

18:30 - 20:30

27 OCT

Session 6: Synthetic Technologies in drug design

Chair: Dr. Alexandre Orsato – UEL

"Synthesis of Natural and Unnatural Marinoquinolines as Anti-plasmodial and Anti-toxoplasm agents"

Carlos Roque D. Correia

UNICAMP, Brazil

9:30 - 10:10

"Cyclopeptides Containing N-Methyl Amino Acids as Promising Antiplasmodial Agents"

Gloria Serra

Universidad de la República - Uruguay

10:10 - 10:50

Flash presentation 2

Chair: Samuel R. Pita - UFBA

"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 and prize session

"Brazilian propolis: research advances, challenges and perspectives"

Jairo Kenupp

FCFRP/USP, Brazil

13:30 - 15:30

Rua José Dias Pereira, 360
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Come have a lunch with us and meet two ACS editors in another edition of ACS on Campus: Lori Ferrins – Topic Editor, Journal of Medicinal Chemistry; and Carolina Horta – Associate Editor, ACS Omega. The event will be part of 11th BrazMedChem and 9th BCNP programs. We will discuss valuable tips on how to prepare your manuscript in an efffective way as well as what our editors expect about an impactful paper. In addition, we will talk about Open Access and its impact on the visibility and democratization of scientific knowledge. The ACS on Campus will be held on Oct 25 at 12 PM (local time). All attendees will recieve a lunch box and a certificate. Register here: cvent.me/4K1qLP #ACSonCampus