National Workshop on Computer Aided Drug Design

National Workshop on Computer Aided Drug Design on 20– 22 July, 2018 @  SRIBS, Pampady, Kottayam


Computer-aided drug design is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. The rapid identification of novel therapeutic agents for specific disease states is potentially the greatest step forward in health care. The fields of genomics and proteomics triggered by the developments in biological, chemical and physical sciences will contribute to this process. Advances in structural biology have allowed to explore the 3-dimensional (3D) structures of biological target molecules. This information can be used to identify chemicals with a high potential for binding to the biological target molecules. These chemicals may then be obtained and experimentally assayed and optimized for the desired biological activity. Both the lead compounds and their optimized analogs represent chemical entities with a high probability of being developed into therapeutic agents and, therefore, are of great interest to pharmaceutical companies.  Over the years, new technologies such as comparative modeling based on natural structural homologues have emerged and began to be exploited in lead design. 

The workshop will focus on topics such as Overview on Drug Discovery; Proteins: Structure and Properties; Target structure validation & simulation; Lead identification & Applications of cheminformatics; Chemoinformatics for Virtual Screening in Drug Design; Ligand Based and Structure based Drug Design and QSAR approaches to drug design. The workshop will also provide hands on training on computational drug design like small molecule drug discovery (Induced fit Docking, GPCR structure prediction, pharmacophore modeling, QSAR etc), and computational biologics design methods including protein-protein docking, antibody modeling etc. 
The syllabus of the workshop is: Overview on drug discovery; Proteins: Structure and Properties; Target structure validation & simulation; Natural products as drug candidates; Lead identification & Applications; Cheminformatics for Virtual Screening in Drug Design; Ligand Based and Structure based Drug Design; QSAR approaches to drug design; Applications of Machine Learning in CADD; Hands on Training; Application: Anti-cancer drug design.

Who can apply: MSc Biology/Chemistry students  

Total Seats : 60

Accommodation: Free dormitory facility will be provided for limited number of out-station participants.

                                 Participants should bring their laptop for hands on training session.

Resource Persons

1. Dr. Naharisastri,G., Molecular Modelling Group, IICT, Hyderabad
2. Dr. Deva Priyakumar, U, International Institute of Information Technology, Hyderabad
3. Dr. Karthikeyan, M., Chemical Engineering and Process Development, NCL, Pune
4. Dr. Muraleedharan K. M, Dept of Chemistry, IIT-Madras, Chennai 
5. Dr. Nisant N Nair, Department of Chemistry, IIT-Kanpur
6. Dr. Radhakrishnan K V, CSIR-NIIST, Thiruvananthapuram
7. Dr. Satheesh K Nair, Bristol Myers Squibb, Bangalore.
8. Dr. Kaustuba Kumar Maiti  CSIR-NIIST, Thiruvananthapuram
9. Dr. T. K. Manojkumar, IIITMK, Technopark, Trivandrum

How to Apply:

There will be no registration fee.Applications with a very  brief CV and a statement to justify the participation in conformity with the objectives may be filed on-line by filling the Online Application Below.