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Sunday, 25th September 2022

2:00-6:00 p.m. Conference Registration 9:00-12:00 a.m. Short course: Drug Design – Jean Leandro dos Santos
Inovação em fármacos no ambiente acadêmico com foco na otimização molecular
6:00-6:30 p.m. Opening Ceremony 12:00-2:00 p.m. Lunch
6:30-7:30 p.m. Opening Conference – Dr. Michael J. Sofia
“The Discovery of Antivirals to Cure Chronic Viral Hepatitis”
2:00-5:00 p.m. Short course: Drug Design – Jean Leandro dos Santos
Inovação em fármacos no ambiente acadêmico com foco na otimização molecular
7:30-11:30 p.m. Welcome Cocktail

Monday, 26th September 2022

Session 1: Natural Products-based Drug Discovery

Chair: Alexandre Orsato – Londrina State University, Brazil

Session 2: Computer-aided Drug Design (CADD)

Chair: Marcelo Castilho – Federal University of Bahia, Brazil

9:00-9:45 a.m. Scott Smid (University of Adelaide, Australia)
The Phytochemical Diversity of Cannabis: Exploring this ‘Potpourri’ of Potential for Development of Cannabinoid-based medicines
9:00-9:45 a.m.  Stefano Alcaro (Univ. Magna Græcia of Catanzaro, Italy)
Can in silico Medicinal Chemistry help the drug discovery of natural compounds?
9:45-10:15 a.m. Lucindo Quintans Jr. (Federal Univ. of Sergipe, Brazil)
Can we use terpenes in chronic pain models? How cyclodextrins can help it?
9:45-10:30 a.m. Alan Talevi, PhD – (University of La Plata, Argentina)
LIDeB Tools: a Latin American resource of freely available, open-source cheminformatics apps to assist drug discovery projects
10:15-10:45 a.m. Laurent Picot (University of La Rochelle, France)
Plant and algal natural products for tumor and antimicrobial phototherapy: an overview of species, photototoxic molecules and innovations.
10:30-11:00 a.m. Coffee Break
10:45-11:15 a.m. Coffee break 11:00-11:45 a.m. Hugo Verli (Federal Univ. of Rio Grande do Sul, Brazil)
How molecular flexibility can enhance drug discovery?
11:15-11:45 a.m. Raphael Grougnet (University of Paris Descartes, France)
Implementation, development, biological evaluations and SAR of a library of polymethoxyflavones
11:45-12:00 a.m. Flash Presentation: “Maximization of SARS-CoV-2 neutralization by antibodies through Monte Carlo optimization” – Micael D. L. Oliveira (Federal University of Amazonas, Brazil)
11:45-12:00 a.m. Flash Presentation: “In silico interaction of organic propolis molecules with targets related to oral mucositis” – Mikaela L. de Souza (Federal University of Alfenas, Brazil)  12:00-2:00 p.m. Lunch
12:00-2:00 p.m. Lunch

Session 3: MedChem for Drug Addiction

Chair: Gisele C. Goulart – Federal University of Minas Gerais, Brazil

Session 4: Pre-clinical Development

Chair: Arthur Kümmerle – Federal Rural Univ. of Rio de Janeiro, Brazil

2:00-2:45 p.m. Fabrício A. Moreira (Federal Univ. of Minas Gerais, Brazil)
MedChem for Drug addiction: Targeting the endocannabinoid system
2:00-2:45 p.m. Marco Aurélio Martins (Fiocruz, Brazil)
Gold nanoparticles for the treatment of glucocorticoid insensitive asthma: what we have learned so far?
2:45-3:30 p.m. Frederico D. Garcia (Federal Univ. of Minas Gerais, Brazil)
Preclinical and innovative uses of anticocaine vaccine: the UFMG-V4N2
2:45-3:30 p.m. Stefan Laufer (University of Tübingen, Gemany)
3:30-3:45 p.m. Flash Presentation: “Pharmacophore mapping combined with dbCICA reveals new insights on ?4?2 and ?7 nicotinic acetylcholine receptors ligand design” – Nailton M. Nascimento-Júnior, Ph.D. (São Paulo State University, Brazil) 3:30-3:45 p.m. Flash Presentation: “Antitrypanosomal Benzoxazinone Series: Hit-to-Lead Campaign and Multiparametric Optimization” – Maria C. Mollo (State University of Campinas, Brazil)
3:45-4:15 p.m. Coffee Break 3:45-4:15 p.m. Coffee Break

Session 5: MedChem for Neglected Diseases

Chair: Elizabeth I. Ferreira – University of São Paulo, Brazil

Session 6: MedChem for Neurodegenerative Diseases

Chair: Lorane H. Melim – Federal University of Amapá, Brazil

4:15-5:00 p.m. Rafaela Salgado Ferreira
Cruzipains as a target for Chagas disease: inhibitor discovery and characterization of subtypes
4:15-5:00 p.m. Maria Laura Bolognesi (University of Bologna, Italy)
Multi-target-directed ligands to combat neurodegenerative diseases — Past, present and future
5:00-5:45 p.m. Rafael Guido (University of São Paulo, Brazil)
Discovery of Plasmodium falciparum Inhibitors as Lead Candidates for Malaria
5:00-5:45 p.m. Andrea Tarozzi (University of Bologna, Italy)
Targeting the NLRP3 inflammasome in neurodegenerative diseases
5:45-6:00 p.m. Flash Presentation: “Cheminformatics-driven identification of new antiplasmodial hits effective against asexual and sexual stages” – Sabrina S. Mendonça (Federal University of Goias, Brazil) 5:45-6:00 p.m. Flash Presentation: “Triazole grandisin analog prevents memory deficit by antioxidant effects in an Alzheimer’s Disease model” – Erick Y. M. Rodrigues (Federal University of Mato Grosso do Sul, Brazil)
6:00-8:00 p.m. Poster Session 1 6:00-8:00 p.m. Poster Session 1

Tuesday, 27th September 2022

BrazMedChem Awards

Chair: Gustavo Trossini – President of the Medicinal Chemistry Division – Brazilian Society of Chemistry

BrazMedChem – Scientific Activities for the Local Community

Chairs: Aline Guerra – Federal University of Rio de Janeiro, Brazil

Claudio Viegas Jr. – Federal University of Alfenas, Brazil 

Ângelo de Fátima – Federal University of Minas Gerais, Brazil 

9:00-9:30 a.m. Young BrazMedChem Awards 9:00-10:00 a.m. Awards’ Ceremony of the BrazMedChem Writing Olympics 
9:30-10:00 a.m. Vanguard BrazMedChem Awards 10:00 a.m.- 6 p.m. Scientific Activities for Local Community
10:00-11:00 a.m. Senior BrazMedChem Awards 2:00-3:00 p.m. Theatrical Presentation for Local Community
Ciência é Vida
(The presentation will be only in Portuguese)
11:00-1:00 p.m. Coffee Break
1:00-2:00 p.m. Lunch
2:00-7:00 p.m. Free Time
7:00-8:00 p.m. Theatrical Presentation for BrazMedChem Community
Ciência é Vida
(The presentation will be only in Portuguese)

Wednesday, 28th September 2022

Gender in Medicinal Chemistry: How to make a successfull carreer in Academy and Industry?
9:00-9:20 a.m. Speaker 1: Elizabeth Igne Ferreira (University of São Paulo)
Medicinal Chemistry: advances and challenges
9:20-9:40 a.m. Speaker 2: Maria Emília Sousa (University of Porto, Portugal)
Research, Academia, and Outreach Activities in Portugal: a Personal Experience
9:40-10:00 a.m. Speaker 3: Júlia L. Monteiro (EUROFARMA)
Pre-Clinical Development at Eurofarma: how a Brazilian Pharmaceutical Company is investing in Drug Discovery?
10:00-10:30 a.m. Discussion
10:30 a.m.-12:30 p.m. Coffee Break/Poster Session 2
12:30-2:00 p.m. Lunch

Session 7: Multi-target Directed Ligands

Chair: Claudio Viegas Jr. – Federal University of Alfenas, Brazil

Session 8: MedChem for Infectious Diseases

Chair: Ângelo de Fátima – Federal University of Minas Gerais, Brazil

2:00-2:45 p.m. Ana Martinez, Biological Research Center (CIB), Spain
From the theory to the bench in multitarget drugs for Alzheimer’s disease therapy
2:00-2:45 p.m. Ian Gilbert  – University of Dundee, Scotland)
Drug Discovery for Neglected Diseases
2:45-3:30 p.m. Holger STARK (Heinrich-Heine- Univ. of Duesseldorf)
Histamine H3 Receptor Pharmacophores in Promising Multi-target Directed Ligands
2:45-3:30 p.m. Maria Emília Sousa (University of Porto, Portugal)
Old Sources for New Antimicrobial Drugs: Lessons and Opportunities
3:30-3:45 p.m. Flash Presentation: “Heterocyclic multitargeting ligands of cholinesterases, histamine, and dopamine receptor subtypes: promising agents for cognitive dysfunctions” – João Paulo S. Fernandes (Federal University of São Paulo, Brazil) 3:30-3:45 p.m. Flash Presentation: “Computational Approach for the Rational Development of Inhibitors of NS5 methyltransferase Serotype 2-Dengue” – Natalia Díaz Carpintieri (University of the Republic, Uruguay)
3:45-4:15 p.m. Coffee Break 3:45-4:15 p.m. Coffee Break

Session 9: MedChem for Orphan Diseases

Chair: Flávio Emery – University of São Paulo – Ribeirão Preto, Brazil

Session 10: MedChem for Cancer

Chair: Maria Emília Sousa – University of Porto, Portugal

4:15-5:00 p.m. Jean Leandro dos Santos (State University of São Paulo, Brazil)
Fetal hemoglobin inducers for Sickle Cell Disease
4:15-5:00 p.m. Paulo R. Costa (Federal Univ. of Rio de Janeiro, Brazil)
Modified Isoflavonoids: Design, Synthesis and Antiproliferative Activity
5:00-5:45 p.m. Angela Russel (University of Oxford, UK)
Development of next generation utrophin modulators for Duchenne muscular dystrophy: learning from clinical setbacks
5:00-5:45 p.m. Antonello Mai (University of Rome, Italy)
Together is Better: Epigenetic Polypharmacology
5:45-6:00 p.m. Flash Presentation: “In Silico Study of the Free Energy of Binding of Kallikrein Inhibitors” – Wemenes J. L. Silva (Federal University of ABC, Brazil)  5:45-6:00 p.m. Flash Presentation: “Development of Dihydrodiazepinones as Inhibitors of the human Vaccinia-related Kinase 2 (VRK2)” – Marcela Campelo R. Silva (State University of Campinas, Brazil)
6:00-7:00 p.m. Poster Awards and BrazMedChem Awards (Previous Organizers)
7:00-8:00 p.m. Closing Ceremony
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