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Program and Schedule
| | eCheminfo InterAction Meeting at IIIT Hyderabad, Hyderabad (11-12 December 2009) | Program Agenda and Schedule
7 – 10 December
Pre-Symposium Hands-on Workshop More Information...
10 December
20.30 Pre-Symposium Dinner
FRIDAY 11 December
07.30 Registration & Welcome Coffee Opens
Biophysical Simulation Applications, chaired by V.N. Balaji (Jubilant Biosys), 09.00 – 13.00
09.00 Chair’s Introduction & Opening Remarks
09.15 Jeff Wiseman (Locus Pharmaceuticals, USA), Applications of Fragment-based Drug Design in Drug Discovery
09.45 Chandra Verma (Bioinformatics Institute A*STAR, Singapore), Computer Simulations open New Windows in Biology: Studies of Modulation of the p53 Pathway
10.15 Harjinder Singh (IIITH), Applications of QM/MM in Drug Discovery
10.45 Coffee Break
11.15 Dhananjay Bhattacharyya (Saha Institute of Nuclear Physics), Effect of Noncanonical Basepairs in Folding Double Helical Regions of Functional RNA Structures: Molecular Dynamics Simulation Study
11.45 Speaker TBA, Title TBA
12.15 Panel Discussion
13.00 Lunch
Neglected Diseases Applications, chaired by Ganesh Balganesh (AstraZeneca), 14.00 – 18.30
14.00 Chair’s Introduction & Opening Remarks
14.15 Indira Ghosh (JNU, New Delhi, India), Finding Selective and Specific Needle(s) in a Hay-stack: Application of vHTS, Molecular Interaction Fields (MIF) and Pharmacophore Design for Anti-malarial Compounds
14.45 B. Gopalakrishnan (Tata Consultancy Services), Virtual Screening for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents
15.15 Shekhar Mande (Centre for DNA Fingerprinting and Diagnostics), Title TBA
15.45 Coffee Break
16.15 Abhijit Mitra (IIIT, Hyderabad), Modeling the Structure of Thioredoxin Glutathione Reductase from
Schistosoma mansoni: A Multifunctional Target for Antischistosomial Drug Discovery
16.45 Speaker TBA, Title TBA
17.15 Avadhesha Surolia (National Institute of Immunology), Title TBA
17.45 Panel Discussion
18.30 Poster Session, Refreshments and Dinner
SATURDAY 12 December
Discovery Informatics, chaired by Barry Hardy (Douglas Connect), 09.00 – 13.00
09.00 Chair’s Introduction & Opening Remarks
09.15 Johann Gasteiger (Molecular Networks, Germany), From Lead Discovery to the Design of Syntheses
09.45 Sreedhar Rao (Ranbaxy), Structure-Aided Interaction Design in Drug Discovery
10.15 Chandrika B-Rao (Piramal Life Sciences), Handling Protein Flexibility in Computational Drug Discovery
10.45 Coffee Break
11.15 Vellarkad N. Viswanadhan (Jubilant Biosys), Computational Chemistry Supporting Small Molecule Drug Design: A Few Case Studies
11.45 Speaker TBA, Title TBA
12.15 Panel Discussion
13.00 Lunch
Predictive ADME/Toxicology, chaired by Kas Subramanian (Strand Genomics), 14.00 – 18.30
14.00 Chair’s Introduction & Opening Remarks
14.15 Ismael Zamora (Pompeu Fabra University and Lead Molecular Design, Spain), Drug Design driven by ADME Prediction
14.45 Achintya Das (Strand Genomics), Blood-brain Barrier Models for Lead Identification
15.15 R. Narayanan (Tata Consultancy Services), Understanding the Limitations of in silico ADME models: A Medicinal Chemist's Perspective
15.45 Coffee Break
16.15 Pramod Wangikar (IIT Bombay), Physiologically-based Pharmacokinetic (PBPK) Modeling to Predict Drug-Drug Interaction and Inter-individual Variation
16.45 Mingyue Zheng (Shanghai Institute of Materia Medica, Chinese Academy of Sciences, China) In Silico Toxicity and Metabolism Prediction
17.15 Barry Hardy (Douglas Connect, Switzerland), The OpenTox Predictive Toxicology Framework
17.45 Panel Discussion
18.30 Poster Session, Refreshments and Dinner
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