32.
Kiralj R., Ferreira M. M. C., “CHEMOMETRIC DESCRIPTION OF 4,9-DIAZAPYRENENIUM-NUCLEOTIDE BINDING”. Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Poster APM35.

33.
Kiralj R., Ferreira M.M.C., “A STUDY OF HIV-1 PROTEASE – INHIBITOR INTERMOLECULAR INTERACTIONS BY USING QUANTITATIVE MOLECULAR GRAPHICS AND A PRIORI QSAR”. Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Poster APM21.

34.
Kiralj R., Ferreira M.M.C., “A COMBINED CHEMOMETRIC, STRUCTURAL, MOLECULAR GRAPHICS AND MODELING STUDY OF PROGESTOGENS”. Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Oral & Poster APM20.

35.
Ribeiro F. A. L., Sabino L. C., Ferreira M.M.C., “QSPR Models to Predict the Organic Carbon-Water Partition Coefficient (Koc) and Bioconcentration Factor (BCF) for Polycyclic Aromatic Hydrocarbons (PAHs)”.Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Poster APM17.

36.
Bruni A. T., Ferreira M. M. C., “QSAR Study of Omeprazole and Analogue Compounds as Anti Helicobacter Pylori Agents”. Caxambu, MG, Brazil, 11-16/11/2001:  1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Poster APM12.

37.
Ribeiro F. A. L., Ferreira M. M. C., “QSAR MODEL OF THE PHOTOTOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS”. Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Poster APM11.

38.
Ferreira M. M. C., “Multivariate QSAR”. Caxambu, MG, Brazil, 11-16/11/2001: 1º Simpósio Brasileiro em Química Medicinal, QSAR e Modelagem Molecular: Novas Estratégias em Planejamento Racional de Fármacos [1st Brazilian Symposium on Medicinal Chemistry, QSAR and Molecular Modeling: New Approaches in Drug Design]. Oral.


Below is a simplified version of the conference site which can be viewed at:

http://agora.grude.ufmg.br/QuickPlace/brazmedchem/Main.nsf/h_Toc/29559189B339F9AC83256AC30067AA00/?OpenDocument
http://agora.grude.ufmg.br/brazmedchem

It is our pleasure to announce the first Brazilian interdisciplinary symposium on Medicinal Chemistry: New Approaches in Drug Design, organised by the Division of Medicinal Chemistry of the Brazilian Chemical Society.

The scientific program will include the following topics:

1. Perspectives in Lead Discovery and Design of Antiprotozoan Drugs;
2. Receptor-based Prediction of Binding Affinities;
3. Synthesis and Bioassay;
4. Applications of Multivariate QSAR;
5. Medicinal Chemistry of Natural Products;
6. Miscellaneous.

Carlos Montanari

On behalf of Organising Committee


Claudio L. DONNICI, BR
Aurea ECHEVARRIA, BR
Anderson Coser GAUDIO, BR
Andrei LEITÃO, BR
Irwin Rose MENEZES, BR
João Bosco PARAÍSO, BR
Vinicius Aniceto SILVA, BR
Members of NEQUIM, BR


Wagner Batista de ALMEIDA, BR
Ricardo José ALVES, BR
Antonia Tavares do AMARAL, BR
Eliezer J. BARREIRO, BR
Etelvino BECHARA, BR
Paulo BISCH, BR
Núbia BOECHAT, BR
Vanderlan da Silva BOLZANI, BR
Quezia B. CASS, BR
John DEARDEN, UK
João Batista FERNANDES, BR
Elizabeth Igne FERREIRA, BR
Daniel FIGUEIROA, BR
Márcia FERREIRA, BR
Luiz Carlos Gomide de FREITAS, BR
Robin GANNELLIN, UK
Peter GOODFORD, UK
Hugo KUBINYI, D
Clodoaldo MACHADO, BR
Tudor OPREA, SW
Ronaldo A. PILLI, BR
Dorila PILÓ-VELOSO, BR
Ivan da ROCHA PITTA BR
Yuji TAKAHATA, BR
Rosendo YUNES, BR
Júlio ZUCKERMAN, BR


14h:00-18h:00 Registration
18h:00-19h:30 Dinner19h:30-20h:00 Opening sessions
Antonio Salustiano Machado, BR
Secretary of Minas Gerais State for Science and
Technology
20h:00-21h:00Christophe L. M. J. Verlinde, USA
Protein structure-based design of anti-protozoal drugs
Dept. of Biological Structure & BioMolecular Structure Center - University of Washington
21h:00-23h:00 Get-together party


8h:45 Perspectives in drug discovery and design of antiprotozoandrugs
Chair: Elizabeth Igne Ferreira
9h. Plenary lecture by: David W. Boykin, USA
DNA minor groove binders as antiprotozoan agents

10h:00-10h:30Coffee break
10h:30 Plenary lecture by: Glaucius Oliva, BR
Target-directed drug discovery in tropical diseases
11h:30 Short lecture by: Richard Garratt, BR
Drug and Vaccine Targets from Schistosoma mansoni
12h:30-13h:45 Lunch
14h:00-15h:00 Plenary lecture by: John Dearden, UK
QSAR modelling of toxicity of drugs
15h:00-15h:30 Short Lecture
Yuji Takahata, BR - PDD5
15h:30-16h:00 Short Lecture
Osman F. Güner, USA - APM13
16h:00-16h:30Short Lecture
Fabio S. Menezes, BR - MPN16
16h:30-18h:00 Free group meeting (Open discussions)
18h:00-19h:30 Dinner
19h:30-21h:30 Poster session
Perspectives in Drug Discovery and design of Antiprotozoan Drugs - PDD1 - PDD20
Synthesis and Bioassays - SYB1 - SYB16


08h:45 Structure-based drug design
Chair: José Daniel Figueroa-Villar, BR
9h Plenary lecture by: Tudor Oprea, SW
Research Scientist, EST Informatics Molndal, AstraZeneca, Sweden
Integrating DMPK and binding affinity predictions: a paradigm shift in lead discovery
10h:00-10h:30 Coffee break
10h:30 Plenary lecture by: Ferran Sanz, ES
Research Group on Medical Informatics
Institut Municipal d'Investigacio Medica
Universitat Pompeu Fabra - Barcelona
Comparison of biomolecules on the basis of molecular interaction potentials
11h:30 Plenary lecture by: Luiz Juliano, BR
Escola Paulista de Medicina UNIFESP, BR
Substrates and inhibitors for human tissue kallikrein, a pro-inflammatory releasing-peptide protease.
12h:30-13h:45 Lunch
14h:00-15h:00 Plenary lecture by: Gerd Folkers, CH
Department of Applied BioSciences
Institute of Pharmaceutical Sciences
ETH Zürich
Designing the keys and engineering the locks: CAMD approaches in gene therapy
15h:00-15h:30 Short Lecture
Robert D. Clarck, USA - APM1
15h:30-16h:00 Short Lecture
Vitor R. Coluci, BR - APM10
16h:00-16h:30 Short Lecture
Rudolf Kiralj, BR - APM20
16h:30-18h:00 Free group meeting (Open discussions)
18h:00-19h:30 Dinner
19h:30-21h:30 Poster session
Chair: José Daniel Figueroa-Villar
Applications of Multivariate QSAR - APM1 - AMP33
Receptor-Based Prediction of Binding Affinities - RPA1 - RPA6


08h:45-11h:00 Modelling and Library Design
Chair: Antonia Tavares do Amaral, BR
9h Plenary lecture by: Paulo Bisch, BR
Departamento de Biofísica da UFRJ
Molecular Modeling of Proteins and Ligands:
"in silico" Experiments
10h Plenary lecture by: Jeffrey Blaney, USA
Bristol-Myers Squibb Pharma Research Laboratories
High-Throughput Docking, Site-based pharmacophore generation, and MDS analysis of 4-point pharmacophores
11h:00-20h:00 Typical brazilian barbecue. Please, pay apart.


08h:45 Multivariate QSAR
Chair: Márcia M. C. Ferreira, BR
9h Plenary lecture by: Roy E. Bruns, BR
Multivariate planning, data analysis and QSAR
10h:00-10h:30 Coffee break
10h:30 Plenary lecture by: Anderson Coser Gaudio, BR
Universidade Federal do Espírito Santo
Computer simulation of drug-receptor interaction
11h:30 Plenary lecture by: Hugo Kubinyi, D
ZH/BASF-AG/BASF
Chemical similarity and biological activity
12h:30-13h:45 Lunch
14h:00-15h:00 Plenary lecture by: Gabriele Cruciani, I
Laboratory for Chemometrics
University of Perugia
Application of QSPR models in pharmaceutical research
15h:00-15h:30 Oral presentation from poster session
Jaime Rabi, BR - MSC12
15h:30-16h:00 Oral presentation from poster session
Stefan Balaz, USA - APM30
16h:00-16h:30 Oral presentation from poster session
Quezia B. Cass, BR - MSC2
18h:00-19h:30 Dinner
19h:30-21h:30 Poster Session
Chair: Márcia M. C. Ferreira
Medicinal Chemistry of Natural Products MNP1 - MNP23
Miscellaneous - MSC1 - MSC14


08h:45-12h:30 Medicinal Chemistry of Natural Products
Chair: Maria Fátima das Graças
Fernandes da Silva, BR
9h:00 Plenary lecture by: Otto Richard Gottlieb and
Maria Renata de M. B. Borin, BR
Quantitative chemobiology: a guide into the
understanding of plant bioactivity
10h:00 Plenary lecture by: Benjamin Gilbert, BR
The Application of Medicinal Plants in
Public Health
11h:00-11h:30Coffee break
11h:30 Plenary lecture by: João B. Calixto, BR
The role of natural products in the process
of drug discovery and development
12h:30 Naftale Katz, BR
FAPEMIG: Desenvolvimento Científico e
Tecnológico em Minas Gerais
Concluding remarks and closing of symposium
12h:45-14:30 Lunch (optional)


 
 

 
Sunday
Monday
Tuesday
Wednesday
Thursday
Friday
8h:45
 Perspectives in drug discovery and design of antiprotozoan drugs Structure-based drug
design 		 Modelling and Library Design  Multivariate QSAR Medicinal Chemistry of Natural Products
8h:45
9h:00
 David W. Boykin, USA
DNA minor groove binders as antiprotozoan agents		 Tudor Oprea, SW
DMPK and binding affinity predictions: a paradigm shift in lead discovery		 Paulo Bisch, BR
Molecular Modeling of Proteins and Ligands:
"in silico" Experiments 		 Roy E. Bruns, BR
Multivariate planning, data analysis and QSAR		 Otto Richard Gottlieb and Maria Renata de M. B. Borin, BR
Quantitative chemobiology: a guide into the understanding of plant bioactivity 
9h:00
10h:00
 Coffee break Coffee break Jeffrey Blaney, USA
Structure-based combinatorial library design		 Coffee break Benjamin Gilbert, BR
The Application of Medicinal Plants in Public Healt
10h:00
10h:30
 Glaucius Oliva, BR
Target-directed drug discovery in tropical diseases		 Ferran Sanz, Spain
Comparison of biomolecules on the basis of molecular interaction potentials		 Anderson Coser Gaudio, BR
Computer simulation of drug-receptor interaction 
10h:30
11h:00
 Typical brazilian barbecue (pay apart) Coffee break
11h:00
11:30 - 12:00
 Richard Garratt
Drug and Vaccine Targets from Schistosoma mansoni
11:30 - 12:00
11h:30
 Luiz Juliano, BR
Substrates and inhibitors for human tissue kallikrein, a pro-inflammatory releasing-peptide protease		 Hugo Kubinyi, Germany
Chemical similarity and biological activity		 João B. Calixto, BR The role of natural products in the process of drug discovery and development
11h:30
12h:30-13h:45
 Lunch Lunch Lunch
12h:30-13h:45
12h:30
 Concluding remarks and closing of symposium
12h:30
12h:45-14:30
 Lunch (optional)
12h:45-14:30
14h:00
 Registration John Dearden, UK
QSAR modelling of toxicity of drugs		 Gerd Folkers, CH
Designing the keys and engineering the locks: CAMD approaches in gene therapy		 Gabriele Cruciani, I
Application of QSPR models in pharmaceutical research
14h:00
15h:00-15h:30
 Oral presentation from poster session Oral presentation from poster session Oral presentation from poster session
15h:00-15h:30
15h:30-16h:00
 Oral presentation from poster session Oral presentation from poster session Oral presentation from poster session
15h:30-16h:00
16h:00-16h:30
 Oral presentation from poster session Oral presentation from poster session Oral presentation from poster session
16h:00-16h:30
16h:30-18h:00
 Free group meeting
(Open discussions)		 Free group meeting
(Open discussions)
16h:30-18h:00
18h:00-19h:30
 Dinner Dinner Dinner
18h:00-19h:30
18h:00-18h:30
 Antonio Salustiano Machado, BR
18h:00-18h:30
18h:30-19h:00
 Naftale Katz, BR FAPEMIG: Desenvolvimento Científico eTecnológico em Minas Gerais
18h:30-19h:00
19h:00-20h:00
 Christophe Verlinde, USA
Protein structure-based design of anti-protozoal drugs
19h:00-20h:00
19h:30-21h:30
 Poster session Poster session Poster Session 
19h:30-21h:30
20h:00-22h:30
 Get-together party        
20h:00-22h:30


All participants (accompanying persons, too) shall stay at the Hotel Gloria. All accommodations will be offered at special, reduced Symposium prices (full boarding). Rooms will be booked on a first-come-first-served basis. Out of the whole daily hotel reservation, a one day deposit, only for foreigners, will be charged when the Symposium fee is paid and deducted from each participant's hotel bill upon check-out. Hotel rooms will be booked and guaranteed for late arrival only if the hotel deposit has been received by the Congress Bureau. Brazilians should book their accomodation directly to the Hotel reservations desk. Please, see Hotel prices here. In case of cancellation, please note that hotel deposits will be refunded up to 22 October 2001 (less a processing fee of 20%). After 22 October 2001 a refund will be made only if the cancelled room can be released to a third party.

The main (venue) hotel is the 4 stars Gloria Hotel.
There is a home page that contains information about the hotel accomodations, but it is in portuguese language.
http://www.hotelgloriacaxambu.com.br/hotel.htm
Tel.: +55-35-3341-3000




Maximal poster size is 100 cm height / 90 cm width.

(i) All abstract submissions should be made electronically. A model can be found on each room (1 to 6).
(ii) The abstract is submitted for poster presentation. Those authors who wish to nominate the abstract for oral
presentation should indicate so in the accompanying abstract submission form.
(iii) All abstracts are to appear on the Symposium Homepage.
(iv) No abstract will be accepted until the presenter is registered for the Symposium. The registration payment is also a pre-requisite for abstract consideration. The registration paymnent does not garantee the abstract is going to be accepted. It shall be accepted on scientific base.
(v) Electronic abstract submission date-limit is October 11th, 2001.



 
 

Posters que receberam menção honrosa no XI - SBQT - 2001
  P24 - A STUDY OF OMEPRAZOLE BEHAVIOR Aline Thaís Bruni , Márcia M.C. Ferreira P75 - A CHARACTERISTIC GROUP SCALE FACTOR METHOD FOR CALCULATING VIBRATIONAL FREQUENCIES Cleber N. Borges e Roy E. Bruns P120 - ARTIFICIAL INTELLIGENCE APPLIED TO DNA AND/OR PROTEIN SEQUENCE DATA ANALYSIS AND POSSIBLE MUTATIONS G. V. Pereira , J. C. Belchior P129 - CÁLCULO DE PROPRIEDADES TERMODINÂMICAS E CINÉTICAS DA DISSOCIAÇÃO : HONO(X1A') ®HO(X2P) + NO(X2 P ) Glauco Favilla Bauerfeldt; Graciela Arbilla; Edilson Clemente da Silva P194 - SIMULAÇÃO POR DINÂMICA MOLECULAR DO HORMÔNIO TIREÓIDE EM SOLUÇÕES AQUOSAS DE URÉIA  Leandro Martínez , Igor Polikarpov , Munir S. Skaf P225 - SJBR: AN AB INITIO BASED APPROACH FOR OBTAINING INTERMOLECULAR POTENTIALS TO BE USED IN LIQUID SIMULATION Marcelo Zaldini Hernandes, Ricardo Luiz Longo P325 - CONFORMATIONAL ANALYSIS AND THE BINDING MODE OF INDOLECARBOXAMIDE AND PYRIDINONE DERIVATIVES ACTING AS HIV-1 REVERSE TRANSCRIPTASE INHIBITORS Thiago Oliveira dos Santos, Sandra M. Torres Müller and Anderson Coser Gaudio P334 - DESIGN DE COMPOSTOS DE COORDENAÇÂO COM ÍONS LANTANÍDEOS: CONVERSORES MOLECULARES DE LUZ  Wagner M. Faustino , Oscar L. Malta , Gilberto F. de Sá e Alfredo M. Simas