CDSAGENDA V.5 2nd Conference on Drug Development for the Third World: from Computational Molecular Biology to Experimental Approaches

2nd Conference on Drug Development for the Third World: from Computational Molecular Biology to Experimental Approaches

Cosponsor(s):

Co-sponsored by ICS-UNIDO (Trieste), IAEA (Vienna), ICGEB (Trieste) and INFM-DEMOCRITOS (Trieste).In cooperation with ICS-UNIDO (Trieste) and INFM-DEMOCRITOS (Trieste).

Start Time:

1 June 2009 at 08:30

Ends On:

5 June 2009

Location:

Trieste - Italy

Venue:

AGH (Kastler Lecture Hall)

Organizer(s):

W.G.J. Hol, E. Lattman, S. Miertus and P. Carloni (also Local Organizer)

Description:

The Conference will focus on computational and biophysical approaches to molecular medicine and drug development for the third world countries. In particular, the program will present molecular simulation and bioinformatics complemented by experimental structural biology methodologies for the investigation of tropical diseases, AIDS and tuberculosis. There will be special sessions dedicated to "Drug Design and Discovery for Developing Countries".
The aim of the event is to bring together distinguished scientists from all over the world, and in particular from South America, South-East Asia and Africa. It will also serve to link together both students and faculty, to encourage involvement for exchange and mutual research in bioinformatics molecular docking and in silico drug screening.

Topics include:
Structural bioinformatics
Molecular Simulation
Computer-aided and structural-based drug and vaccine design
Structural biology of HIV, SARS, Malaria and tuberculosis
Cell biology of HIV
Molecular Medicine

PLEASE NOTE that the Conference will be followed by a second joint event entitled "Training Course on Molecular Design and Computer-Assisted Combinatorial Chemistry" (8 to 12 June), organized by ICS-UNIDO and in cooperation with SISSA, to take place at SISSA, Trieste, Italy. For further information on this Training Course, and relevant application form, please see the website at:
http://www.ics.trieste.it/Portal/Activity.aspx?id=548&pback='/Portal/Level.aspx?level=5.1'

NEW DEADLINE for receipt of applications:
Asking for financial support: 20 MARCH 2009
Not asking for financial support: 10 APRIL 2009

Material:

MONDAY, 1 JUNE 2009 Section 1.1: Introduction

Room: Adriatico Guest House Kastler Lecture Hall

1 June 2009

08:30
08:40

Welcome on behalf of the Organizers

10'

E. LATTMAN
Hauptman Woodward Medical Research Institute, Buffalo, U.S.A.

08:40
08:50

Welcome on behalf of ICTP

10'

S. RANDJBAR-DAEMI
Assistant Director

08:50
09:00

Welcome on behalf of ICS/UNIDO

10'

S. MIERTUS
ICS/UNIDO, Padriciano, Trieste, Italy

09:00
09:10

Organizational Remarks

10'

P. CARLONI
SISSA, Trieste, Italy

Session 1.2: Drug Action at the Atomic Level

Chairperson: R. NUSSINOV

Room: Adriatico Guest House Kastler Lecture Hall

1 June 2009

09:10
09:50

Modes of Drug Action I

40'

lecture_notes

W.G.J. HOL
Biomolecular Structure Centre, Univ. of Washington, Seattle, WA, U.S.A.

09:50
10:30

The Art and Science of Protein Structure Determination

40'

E. LATTMAN
Hauptman Woodward Medical Research Centre, Buffalo, U.S.A.

10:30
11:00

Coffee break

30'

Session 1.3: Computation in Drug Design - I

Chairperson: P. CARLONI

Room: Adriatico Guest House Kastler Lecture Hall

1 June 2009

10:30
11:30

REGISTRATION FORMALITIES (outside Kastler Lecture Hall) subsequently with the secretariat room office nr. 2

01h00'

Room: Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)

11:30
12:10

Computational Strategies in Drug Discovery and Design

40'

R. NUSSINOV
NCI at Frederick, Computational Structural Biology Group, Frederick, MD, U.S.A.

12:10
14:30

Lunch break

02h20'

13:00
14:30

Registration - continued with the secretariat, AGH office room nr. 2

01h30'

Session 1.4: Special Session by N. RAMAMOORTHY (IAEA)

Room: Adriatico Guest House Kastler Lecture Hall

1 June 2009

14:30
15:00

Principles and Scope of Radiotracers and Related Techniques in Drug Development

30'

N. RAMAMOORTHY
IAEA, Vienna, Austria

15:00
15:30

Coffee break

30'

15:30
16:10

PET in Drug Discovery and Development

40'

A. GEE
Clinical Imaging Centre, Imperial College London, U.K.

16:10
16:50

Role of Labelled Compounds in Drug Development and Manufacture: Indian experience

40'

N. SIVAPRASAD
BRIT, BARC Vashi Complex, Mumbai, India

16:50
17:10

Presentation of SISSA's Bioinformatics Laboratory, where on the 6th and 7th of June, participants taking part in the Training Course (week 8-12 June) will be working.

20'

A. GIORGETTI, S. PANTANO and E. IPPOLITI
Univ.Verona, Biotechnologie, Italy/ Inst.Pasteur Montevideo, Uruguay/ SISSA, Trieste, Italy

In this laboratory, students will be able to visualize the molecular structure of proteins and to perform protein structure based on webservers.

TUESDAY, 2 JUNE 2009 Session 2.1: Drug Development of HIV - I (Republic's Day)

Chairperson: E. ARNOLD

Room: Adriatico Guest House Kastler Lecture Hall

2 June 2009

09:00
09:40

Biological and Chemical Considerations for the Development of Drugs Targeting HIV-1 Reverse Transcriptase

40'

S.H. HUGHES
NIH/NCI at Frederick, MD, U.S.A.

09:40
10:20

Structure-based Design of Drugs and Vaccines for Treatment and Prevention of HIV infection

40'

E. ARNOLD
CABM and Rutgers Univ., Piscataway, U.S.A.

10:20
10:50

Coffee break

30'

10:50
11:30

Development of four anti-AIDS Drugs: Successes and Challenges

40'

H. MITSUYA
NIH/NCI at Bethesda, MD, USA and Kumamoto Univ., Japan

11:30
12:10

Developing Successful Microbicides for Blocking HIV Transmission

40'

M.A. PARNIAK
Univ. of Pittsburgh, School of Medicine, U.S.A.

12:10
13:20

Lunch Break

01h10'

Session 2.2: Fundamentals of Drug Design (Republic's Day)

Chairperson: E. LATTMAN

Room: Adriatico Guest House Kastler Lecture Hall

2 June 2009

13:20
14:00

Modes of Drug Action II

40'

lecture_notes

W.G.J. HOL
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

14:00
14:40

Structural biology in Drug Design

40'

W.G.J. HOL
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

14:40
15:10

Coffee break

30'

15:10
15:50

Forces and Energies I

40'

lecture_notes

C.L.M.J. VERLINDE
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

15:50
16:30

Forces and Energies II

40'

lecture_notes

C.L.M.J. VERLINDE
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

WEDNESDAY, 3 JUNE 2009 Session 3.1: Opportunities and Progress in Malaria Drug Development

Chairperson: W. HUNTER

Room: Adriatico Guest House Kastler Lecture Hall

3 June 2009

08:30
09:10

Targeting the Malaria Parasite's Invasion Machinery

40'

lecture_notes

W.G.J. HOL
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

09:10
09:50

Molecular Simulation and Drug Design

40'

P. CARLONI
SISSA, Trieste, Italy

09:50
10:30

The TDR Drug Target Database

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

10:30
11:00

Coffee break

30'

Session 3.2: Drug Design for Trypanosomes

Chairperson: S.H. HUGHES

Room: Adriatico Guest House Kastler Lecture Hall

3 June 2009

11:00
11:40

Characterization and Targeting of Trypanosomatid Pteridine Reductase

40'

W.N. HUNTER
Univ. of Dundee, Life Sciences, Dundee, U.K.

11:40
12:20

Glycolytic Targets in Trypanosomatids

40'

M.D. WALKINSHAW
Univ. of Edinburgh, Structural Biochemistry, Edinburgh, U.K.

12:20
13:30

Lunch break

01h10'

Session 3.3: Fundamentals of Drug Design III

Chairperson: A. CAVALLI

Room: Adriatico Guest House Kastler Lecture Hall

3 June 2009

13:30
14:10

Solvation

40'

C.L.M.J. VERLINDE
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

Session 3.4: Special Session by S. MIERTUS

Chairperson: S. MIERTUS

Room: Adriatico Guest House Kastler Lecture Hall

3 June 2009

14:10
14:50

Molecular Modelling Study, Design and Development of New Anti-dengue Compounds

40'

N.B. Abd. RAHMAN
Univ. of Malaya, Chemistry, Kuala Lumpur, Malaysia

14:50
15:30

Computer Drug Design and Computer Assisted Combinatorial Chemistry: Applications for Anti-bird Flu and Anti-HIV Drugs

40'

V. FRECER
ICS/UNIDO, Padriciano, Trieste, Italy

15:30
16:00

Coffee break

30'

16:00
16:40

Molecular Modeling of New Targets Against AIDS

40'

S. PANTANO
Inst. Pasteur de Montevideo, Uruguay

16:40
17:20

Drug Discovery Using Combinatorial Chemistry Approaches

40'

P. SENECI
Univ. of Milan, Dept. of Organic & Industrial Chemistry, Milan, Italy

17:20
17:50

Knowledge Based Identification and Prioritization of Potent Anti-tubercolar Compounds Using Structure-based Virtual Screening and Structure Interaction Fingerprints

30'

I. SIDDIQI
Central Drug Research Institute, Lucknow, India

THURSDAY, 4 JUNE 2009 Session 4.1: Challenges and Opportunities

Chairperson: E. ARNOLD

Room: Adriatico Guest House Kastler Lecture Hall

4 June 2009

08:30
09:10

Modes of Drug Resistance

40'

W.G.J. HOL
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

09:10
09:50

Immunophilins as Anti-infective Drug Targets

40'

M. D. WALKINSHAW
Univ. of Edinburgh, Structural Biochemistry, Edinburgh, U.K.

09:50
10:30

Multivalent Drugs and Diarrheal Diseases

40'

lecture_notes

W.G.J. HOL
Biomolecular Structure Centre, Univ. of Washington, Seattle, U.S.A.

10:30
11:00

Coffee break

30'

Session 4.2: Computation in Drug Design II

Chairperson: W.G.J. HOL

Room: Adriatico Guest House Kastler Lecture Hall

4 June 2009

11:00
11:40

Multifunctional strategies in the search for novel lead candidates against Trypanosoma and Leishmania

40'

A. CAVALLI
Univ. of Bologna, Dept. of Pharmaceutical Sciences, Bologna, Italy

11:40
12:20

Bio-informatics and Structural Biology Approaches to the Development of Anti-malaria Compounds

40'

A. SHARMA PRAKASH
ICGEB, New Delhi, India

12:20
13:30

Lunch Break

01h10'

Session 4.3: Fundamentals of Drug Design IV

Chairperson: M.A. PARNIAK

Room: Adriatico Guest House Kastler Lecture Hall

4 June 2009

13:30
14:10

Scoring Functions

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

14:10
14:50

Docking

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

14:50
15:20

Coffee break

30'

15:20
16:50

POSTER SESSION

01h30'

Presentation of Poster Contributions

Room: Adriatico Guest House - Kastler Lecture Hall Area (Lower Level 1)

FRIDAY, 5 JUNE 2009 Session 5.1: Drug Design at the Atomic Level

Chairperson: C.L.M.J. VERLINDE

Room: Adriatico Guest House Kastler Lecture Hall

5 June 2009

08:30
09:10

The Non-mevalonate Pathway of Isoprenoid Biosynthesis; Essential Activities in Apicomplexans and Gram-negative Bacteria

40'

W.N. HUNTER
Univ. of Dundee, Life Sciences, Dundee, U.K.

09:10
09:50

Drug Discovery Research in an Academic Environment

40'

W.N. HUNTER
Univ. of Dundee, Life Sciences, Dundee, U.K.

09:50
10:20

Coffee break

30'

Session 5.2: Fundamentals of Drug Design and Development

Chairperson: M.D. WALKINSHAW

Room: Adriatico Guest House Kastler Lecture Hall

5 June 2009

10:20
11:00

Absorption, Distribution, Metabolism, Excretion I

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

11:00
11:40

Absorption, Distribution, Metabolism, Excretion II

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

11:40
12:20

Flexibility and Drug Design

40'

B. DE GROOT
Max Planck Inst. for Biophysical Chemistry, Gottingen, Germany

12:20
12:30

Lunch Break

10'

Session 5.3: Tropical Diseases

Chairperson: S. PANTANO

Room: Adriatico Guest House Kastler Lecture Hall

5 June 2009

13:30
14:10

Structures of M. Tuberculosis Drug Targets

40'

W.G.J. HOL
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

14:10
14:50

Protein Structures for Drug Design Against Tropical Protozoa

40'

W.G.J. HOL
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

14:50
15:30

Design of New Anti-Chagas Therapeutics

40'

C.L.M.J. VERLINDE
Biomolecular Structure Center, Univ. of Washington, Seattle, U.S.A.

15:30
16:00

Coffee break

30'

Session 5.4: ICGEB Session

Chairperson: P. CARLONI

Room: Adriatico Guest House Kastler Lecture Hall

5 June 2009

16:00
16:40

Spatial and Temporal Correlates of Viral Replication in Single Cells in Real Time

40'

A. MARCELLO
ICGEB, Molecular Virology Lab., Padriciano, Trieste, Italy

16:40
17:20

Molecular Mechanisms Regulating HIV-1 Integration and Latency

40'

M. LUSIC
ICGEB, Molecular Medicine

17:20
17:35

CONCLUDING REMARKS

15'

W.G.J. HOL / P. CARLONI / E. LATTMAN

Participants attending the TRAINING COURSE on 'Computer Design and Discovery of Potential Drugs for Developing Countries' (SISSA, 8-12 June) will take part in COMPUTER EXERCISES on Saturday 6 June at SISSA's Bioinformatics Laboratory. (Saturday)

6 June 2009

09:00
18:00

Hands-on Session on Bioinformatics

09h00'