Regional Centre for Biotechnology
Bioinformatics Centre for Computational Drug Discovery
The Bioinformatics Centre (BIC) at the Regional Centre for Biotechnology (RCB) aims to develop a computational pipeline for structure based computational drug discovery using non-proprietary open sce software that can help users in identifying potential small molecule ligands that modulate biological activity of target proteins as desired.
Build a robust pipeline for in-silico screening to unearth lead molecules using state of the art tools and infrastructure. Develop a model to enable access to researchers from all over India to utilize the drug discovery pipeline Provide a platform for researchers within and outside RCB to develop effective computational tools to support the discovery of new drugs against different diseases Conducting periodic workshops
Most of the open sce tools and software to be utilized for building the pipeline have been installed, deployed and standardized - AutoDock Vina, RDKit, GROMACS, OpenBabel etc. 1642341 Small molecules from multiple libraries have been converted to a format compatible with AutoDock Vina.
The centre will provide resces to researchers from all over India to conduct structure-based drug discovery using non-proprietary software. The centre will help train students in undergraduate and post-graduate cses in the major aspects of computational drug discovery.
A pipeline for structure based computational drug discovery using non-proprietary software is in final stages of development. The pipeline will be deployed for general use early next year.
The centre aims to "research based learning" (RCB motto) for undergraduate and post-graduate students to conduct structure-based drug discovery projects.
