different strategies and an introduction of in silico drug design

1. S.Prasanth Kumar, Bioinformatician Pharmacogenomics & Drug Design in silico Drug Design - An Introduction S.Prasanth Kumar, Bioinformatician S.Prasanth Kumar Dept. of Bioinformatics Applied Botany Centre (ABC) Gujarat University, Ahmedabad, INDIA www.facebook.com/Prasanth Sivakumar FOLLOW ME ON ACCESS MY RESOURCES IN SLIDESHARE prasanthperceptron CONTACT ME [email_address]

2. From Scratch Drug discovery is mostly portrayed as a linear, consecutive process that starts with target and lead discovery , followed by lead optimization and pre-clinical in vitro and in vivo studies to determine if such compounds satisfy a number of pre-set criteria for initiating clinical development

3. Cost & Time

4. Traditional Approach Poor pharmacokinetics ( 39% ), lack of efficacy ( 30% ), animal toxicity ( 11% ), adverse effects in humans ( 10% ) and various commercial and miscellaneous factors. Synthesizing compounds in a time-consuming multi-step processes in vivo biological screens Promising candidates Pharmacokinetic properties, metabolism and potential toxicity Investigation (Screening) Failures 90 %

5. in-silico Drug Design

6. in-silico Drug Design in silico methods can help in identifying drug targets via bioinformatics tools Major roles of computation in drug discovery are Virtual screening & de novo design in silico ADME/T prediction and Advanced methods for determining protein-ligand binding