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Nov 9, 2014 - The 7th Brazilian Symposium on Medicinal Chemistry. Campos do ... Vice-Chair: Eliezer Barreiro, UFRJ. Burs

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The 7th Brazilian Symposium on Medicinal Chemistry Campos do Jordao-SP, Brazil, November 9-12, 2014 http://www.brazmedchem.iqsc.usp.br/2014 [email protected]

Preliminary program

November, 9 (Sunday) Timetable

Activity

9 am – 6 pm

Registration Short course

9 am-12 pm 2-5 pm

Speaker

Metodologias de Ressonância Magnética Nuclear em Química Medicinal

José Daniel Figueroa Villar

Workshop pre-symposium 9 am-12 pm

2-5 pm

Virtual Screening: How to do it better and how to know you are doing better Workshop pre-symposium Beyond the Rule of 5

6-7 pm

Paul Hawkins

Tudor Oprea, Peter Kenny

Opening Ceremony Opening Conference

7-8 pm

Structural Biology and Structural Genomics for Rational Drug Design

8 pm

Welcome reception

Permanent Committee of the BrazMedChem Ricardo Bicca de Alencastro, UFRJ Carlos Alberto Montanari, IQSC-USP Andrei Leitão, IQSC-USP José Daniel Figueroa Villar, IME-RJ

Kurt Wüthrich

Local Organizing Committee of the BrazMedChem2014 Chair Emeritus: Ricardo Bicca de Alencastro, UFRJ Chair: Andrei Leitão, IQSC-USP Co-Chair: Carlos Alberto Montanari, IQSC-USP Vice-Chair: Eliezer Barreiro, UFRJ Bursary Chair: José Daniel Figueroa Villar, IME-RJ Chair of the Scientific Committee: Antonia Tavares do Amaral, IQ-USP

The 7th Brazilian Symposium on Medicinal Chemistry Campos do Jordao-SP, Brazil, November 9-12, 2014 http://www.brazmedchem.iqsc.usp.br/2014 [email protected]

November, 10 (Monday) Timetable

Activity

Speaker

Target-based drug design 9-9:15 am

Overview and introduction

Cristiano Guimarães

9:15-10 am

Simulation and informatics for chemical insight and design

Michael Gilson

10-10:45 am

Prion-Like Neurodegenerative Diseases and Cancer: New Targets to Chemotherapy

Jerson Lima

10:45-11 am

Coffee break

11-11:45 am

Illuminating Ligand-Receptor Interactions: New Insights into GPCR Pharmacology using Fluorescent Ligands

Barrie Kellam

11:45 am-12:30 pm

Methodological improvements in docking: are we actually getting better?

Paul Hawkins

12:30-2:30 pm

Lunch

ADME-Tox in Drug Discovery 2:30-2:45 pm

Overview and introduction

Antonia T. do Amaral

2:45-3:30 pm

Human Metabolism Prediction: Facts or Fantasy?

Gabriele Cruciani

3:30-4:15 pm

Accident and misadventure in property-based design

Peter Kenny

4:15-4:30 pm

Coffee break

4:30-5:15 pm

Informatics and modeling supports drug safety

Catrin Hasselgren

Oral presentations 5:15-5:30 pm

Cation-π interactions play a key role in the binding of new CREBBP bromodomain inhibitors

Wilian Cortopassi

5:30-5:45 pm

C-7 Substituted artemisinin derivatives

Paulo Carvalho

5:45-6 pm

Design and Synthesis of Rac1 inhibitors as Potential Antitumor Agents

Maria Julieta Comin

6-7:30 pm

Poster session I

Permanent Committee of the BrazMedChem Ricardo Bicca de Alencastro, UFRJ Carlos Alberto Montanari, IQSC-USP Andrei Leitão, IQSC-USP José Daniel Figueroa Villar, IME-RJ

Local Organizing Committee of the BrazMedChem2014 Chair Emeritus: Ricardo Bicca de Alencastro, UFRJ Chair: Andrei Leitão, IQSC-USP Co-Chair: Carlos Alberto Montanari, IQSC-USP Vice-Chair: Eliezer Barreiro, UFRJ Bursary Chair: José Daniel Figueroa Villar, IME-RJ Chair of the Scientific Committee: Antonia Tavares do Amaral, IQ-USP

The 7th Brazilian Symposium on Medicinal Chemistry Campos do Jordao-SP, Brazil, November 9-12, 2014 http://www.brazmedchem.iqsc.usp.br/2014 [email protected]

November, 11 (Tuesday) Timetable

Activity

Speaker

Open Innovation in Cheminformatics (Sponsored by the Royal Society of Chemistry) 9-9:15 am

Overview and introduction

Claudio Cavasotto

9:15-10 am

Drug Repurposing from an Academic Perspective

Tudor Oprea

10-10:45 am

Serving the Medicinal Chemistry Community with Royal Society of Chemistry Cheminformatics Platforms

Antony Williams

10:45-11 am

Coffee break

11-11:45 am

Using Bioactivity Databases and Computer Algorithms for Target Deconvolution and Compound Design

Andreas Bender

11:45 am-12:15 pm

Incorporating quantum-mechanical methods in structurebased drug discovery

Claudio Cavasotto

12:15-2:30 pm

Lunch

Synthesis & Drug Design 2:30-2:45 pm

Overview and introduction

Antonio Burtoloso

2:45-3:30 pm

Discovery of the Smoothened Inhibitors LEQ506 and LDE225 for the Treatment of Hedgehog-Dependent Tumors

Stefan Peukert

3:30-4:15 pm

Synthesis and Biological Activity of Natural Products and Derivatives

Ronaldo Pilli

4:15-4:30 pm

Coffee break

4:30-5:15 pm

(Synthetic) Approaches to Lead Identification

Hans P. Wessel

Oral presentations 5:15-5:30 pm

The first crystal structures of fragment-like inhibitors bound to cruzain provides new insights for novel inhibitors design

William Fernandes

5:30-5:45 pm

Understanding miltefosine-membrane interactions using molecular dynamics simulations

Matheus Malta de Sá

5:45-6 pm

Association of the anti-tuberculosis drug rifampicin with PAMAM dendrimer: a molecular dynamics simulation study

Bruno Horta

6-7:30 pm

Poster session II

Permanent Committee of the BrazMedChem Ricardo Bicca de Alencastro, UFRJ Carlos Alberto Montanari, IQSC-USP Andrei Leitão, IQSC-USP José Daniel Figueroa Villar, IME-RJ

Local Organizing Committee of the BrazMedChem2014 Chair Emeritus: Ricardo Bicca de Alencastro, UFRJ Chair: Andrei Leitão, IQSC-USP Co-Chair: Carlos Alberto Montanari, IQSC-USP Vice-Chair: Eliezer Barreiro, UFRJ Bursary Chair: José Daniel Figueroa Villar, IME-RJ Chair of the Scientific Committee: Antonia Tavares do Amaral, IQ-USP

The 7th Brazilian Symposium on Medicinal Chemistry Campos do Jordao-SP, Brazil, November 9-12, 2014 http://www.brazmedchem.iqsc.usp.br/2014 [email protected]

November, 12 (Wednesday) Timetable

Activity

Speaker

Brazilian-Portuguese-Spanish Meeting on Medicinal Chemistry 9-9:15 am

Overview and introduction

José Daniel Figueroa Villar

9:15-9:45 am

DockThor: a Brazilian Receptor-Ligand Docking Program

Laurent Dardenne

9:45-10:15 am

Chemogenomic approaches to single and dual-stage antimalarial agents

Rui Moreira

10:15-10:45 am

Progress and Pitfalls in the Modeling and Simulation of Tubulin-Drug Interactions

Federico Gago

10:45-11 am

Coffee-break

11-11:30 am

Research, Development & Innovation at Aché.

Cristiano Guimarães

11:30 am12 pm

New Synthetic Routes of Nitrogen and Oxygen Heterocycles

Artur Silva

12-12:30 pm

Discovery of Novel EP1 Ligands for the Treatment of Pain

Antoni Torrens

12:30-2:30 pm

Lunch

New Approaches in Drug Discovery 2:30-2:45 pm

Overview and introduction

Andrei Leitão

2:45-3:30 pm

The Emergence of Drug Discovery in Academia: Case studies in Neurodegenerative Disease

Marcie Ann Glicksman

3:30-4:15 pm

Human Cell Systems Biology for Drug Discovery and Chemical Safety

4:15-4:30 pm

Coffee-break

4:30-5:15 pm

Enabling the Best Structure-Based Design Engine: An Expert Scientist

5:15-7 pm

Round table

7-8 pm

Closing remarks

Permanent Committee of the BrazMedChem Ricardo Bicca de Alencastro, UFRJ Carlos Alberto Montanari, IQSC-USP Andrei Leitão, IQSC-USP José Daniel Figueroa Villar, IME-RJ

Ellen L. Berg

Jeffrey Blaney

Local Organizing Committee of the BrazMedChem2014 Chair Emeritus: Ricardo Bicca de Alencastro, UFRJ Chair: Andrei Leitão, IQSC-USP Co-Chair: Carlos Alberto Montanari, IQSC-USP Vice-Chair: Eliezer Barreiro, UFRJ Bursary Chair: José Daniel Figueroa Villar, IME-RJ Chair of the Scientific Committee: Antonia Tavares do Amaral, IQ-USP

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