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Home
Historic background
Scientific Program
Organization
Registration
Travel information
Support & Sponsors
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”
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: To be announced
“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: To be announced
"From Chagas to COVID-19 disease: a journey of life?"
Carlos Alberto Montanari
IQSC/USP, Brazil
11:00 - 11:50
Lunch
12:00 - 13:30
Session 2: Pharmacokinetics in drug discovery
Chair: To be announced
Title to be announced
Kenneth MacLeod
University of Dundee - UK
13:30 - 14:10
"To be announced"
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
"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
• Eduarda Antunes Moreira
JP-SBQ
• María José Dávila-Rodríguez
Elsevier
17:10 – 18:30
Poster session
(1-80)
18:30 - 20:30
26 OCT
Session 3: Health Innovation in Neglected and infectious diseases
Chair: To be announced
"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: To be announced
“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: To be announced
"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: To be announced
"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”
• Júlia Monteiro
Eurofarma
• Lori Ferrins
Northeastern University
• Gemma Turon
Ersilia - UK
17:10 – 18:30
Poster session
(81-160)
18:30 - 20:30
27 OCT
Session 6: Synthetic Technologies in drug design
Chair: To be announced
"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
"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"
Jairo Kenupp
FCFRP/USP, Brazil
13:30 - 15:30
