DeepGraph 2.0 (Gcoupler)

About the Technology

G-Protein Coupled Receptors (GPCRs) are highly critical targets for pharmaceutical companies, as approximately 45% of existing modern drugs target them. However, to date, a substantial fraction of GPCRs are classified as "Orphan Receptors," meaning their native ligands and associated drug information are entirely unknown.

Gcoupler (part of the DeepGraph 2.0 suite) is an AI-powered, well-thought-out computational tool designed specifically for de novo drug design targeting these orphan and deorphanized GPCRs. It helps pharmaceutical researchers identify compound interactions and accelerates early-stage drug development.

Novel Features

Delivered as a user-friendly Python application, Gcoupler offers an extremely efficient and comparatively faster route to explore allosteric sites of GPCRs. By integrating advanced deep learning models, Gcoupler enables structure-based, de novo drug design with higher precision, outperforming standard rigid docking models.

National & Global Impact

Currently, domestic pharmaceutical firms purchase multiple foreign commercial software licenses, costing millions, to aid in early-stage drug discovery. Gcoupler directly addresses this dependency, acting as an indigenous, end-to-end open-source solution for drug discovery, thereby reducing national expenditure on foreign software.