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March 2nd, 2019 (Saturday)
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Conference Venue: Auditorium, CSIR-IICT
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14:15-14:30
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Inaugural Session
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Session 1
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Time
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Speakers
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Title of the Talks
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14:30-14:50
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Keynote 1: Dr. Alok Dhawan
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Interaction of In silico and Experimental Toxicology |
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14.50-15:10
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Keynote 2: Dr. Ravichandran
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Network pharmacology approach on Hyperglycemia
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15:10-15:30
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Keynote 3: Dr. Barry Hardy
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Knowledge-integrated Toxicology and Safety Assessment |
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15:30-15:40
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Dr. Andrew Singer
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Overview of AMR in the environment and the challenge of assessing risk
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15:40-15:50
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Dr. P.V. Bharatam
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The toxicity originating from the reactive metabolites of the drugs
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15:50-16:30
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Discussion
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16:30-16:50 Tea break
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Session 2
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16:50-17:00
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Dr. R. Parthasarathi
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Non-testing Methods for Toxicity Assessment
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17:00-17:10
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Dr. K. Venkatesh
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Systems engineering perspective of human metabolism through a multiscale model for clinical data and toxicology analysis: A cell to human framework
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17:10-17:20
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Dr. Subhash C. Bhasak
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Use of mathematical structural descriptors and proteomics-based bio descriptors in the prediction of toxicity and nanotoxicity
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17:20-17:30
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Dr. Rajesh Goel
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In silico prediction of toxicity for drugs and yet to be drugs using PASS and Pharmaexpert
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17:30-18:00
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Discussion
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18:00-19:00
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Poster Evaluation
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19:00-19:30
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Special Lecture by Dr. Indira Gosh
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20:00-21:00 - Dinner
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March 3rd, 2019 (Sunday)
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Conference Venue: Auditorium, CSIR-IICT
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Session 3
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09:00-09:10
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Dr. G. Madhavi Sastry
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Nuts and bolts of computational methods in drug discovery
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09:10-09:20
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Dr. C.V. Sastri
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Tuning catalytic reactivity of Iron(IV)-oxo complexes through Induced Steric Effect
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09:20-09:30
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Dr. Devesh Kumar
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Drug metabolism by Cytochrome P450
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09:30-09:40
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Dr. Nagarajaram
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Structural Characteristics of Disease Molecular Phenotypes |
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09:40-09:50
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Dr. M. Vijjullatha
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Computational analysis of mutations allows predicting drug resistance/sensitivity against inhibitors |
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09:50-10:45
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Discussion
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10.45-11:15 Tea break
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Session 4
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11:15-11:25
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Dr. Hemanth K Srivastava
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DFT based CADD approach for designing lead molecules
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11:25-11:45
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Dr. R.Thenmalarchelvi
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Pattern recognition approach to predict a protein’s like or dislike when it meets a metal
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11:45-11:55
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Dr. Jagannath Mondal
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Computer simulation of protein-ligand recognition in real time
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11:55-12:05
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Dr. Brinda Poojary
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Adverse outcome pathways – A holistic tool for better predictivity & eliminating animal usage
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12:05-12:15
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Dr. Ashish Anand
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Machine learning for drug repurposing
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12:15-12:25
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Dr. Priyanka Banerjee
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Development of Toxicity prediction models using chemoinformatics/Machine learning using KNIME workflows |
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12:25-13:15
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Discussion
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13:15-14:30 Lunch
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Session 5
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14:30-14:40
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Dr. U. Deva Priyakumar
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Rise of the Machines: Chemistry with Machine Learning
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14:40-14:50
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Dr. Rama Kaalia
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Learning from chemical structures for in silico toxicity prediction |
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14:50-15:00
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Dr. Ashwani Sharma
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HepaRG™: an integrated model for studying bile canalicular functions and dysfunctions to understand Cholestasis toxicity. |
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15:00-15:10
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Dr. Jayashree
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Synthesis and drug likeness evaluation of novel norfloxacin citrate conjugates as potential antibacterial and anticancer agents |
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15:20-15:30
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Dr. Durba Roy
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Dynamical simulations of Peptide Toxins reveal the link among peptide sequence, structure and disulfide bond isoforms
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15:10-15:20
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Dr. Chinmayee Choudhary
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Exploring multiple binding pockets of drug targets as a new strategy for Anti-TB inhibitor design
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15:30-16:30
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Discussion
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16:30-17:00 Tea break
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17:00-17:30
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Closing remarks and best poster prizes
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19:00-20:30 Dinner
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