FishBAIT: Work Flow

FishBAIT: Fishing the Bio-Activity Informations and Targets for Organic Compounds

Druggable biomolecules are limited but the number of small molecules capable of moderating their activities is huge. Instead of searching for a molecule for a given target, a new approach to finding a target for a known molecule can also be utilized. There are many molecules that are synthesized in laboratories across the globe but are never tested for their bioactivity. Also, cases exist where bioactive compounds are known but their biomolecular targets are unknown. FishBAIT is application software that aims to fill this gap, by a quick examination against a databank of pathogen’s protein structures. The application screens thousands of protein structures at a time against input molecules using the RASPD+ logic and provides information on potential protein targets for molecules under investigation.