India is well known for its expertise in organic synthesis.Few drug molecules however have come out of the diverse Laboratories.
There is an urgent need to inform the organic chemist of the bioactivity/therapeutic potential of his / her molecule.
The aim of BAITOC project is to fill this void, through rapid scans against a database of pathogen protein structures, which cause diease to humans and
passing on this information to the scientist who can check the bio-activity of the molecule and further
attempt to elaborate his/her scaffold to develop lead molecules.
We present here an application software for helping in development of laboratory generated organic molecules as lead compounds.
The application screens thousands of protein structures against the input organic molecules in a time efficient manner
and provides information on proteins (PDBID) showing high binding energy to the molecule under investigation.