Intellectual Property India Publishes Patent Application for 'In Silico Method For Evaluating Berberine As Cox-2 Inhibitor' Filed by Vellore Institute Of Technology

MUMBAI, India, Jan. 2 -- Intellectual Property India has published a patent application (202541123024 A) filed by Vellore Institute Of Technology, Vellore, Tamil Nadu, on Dec. 5, 2025, for 'in silico method for evaluating berberine as cox-2 inhibitor.'

Inventor(s) include Dr. Gayathri M; Ms Sonal Susan Siby; Ms Shreya Raghuraman; and Mr Debojyoti Sarkar.

The application for the patent was published on Jan. 2, under issue no. 01/2026.

According to the abstract released by the Intellectual Property India: "The present disclosure provides a computer-implemented method (100) for evaluating berberine as a cyclooxygenase-2 inhibitor. The method (100) includes retrieving a three-dimensional structure of a COX-2 enzyme from a protein database in a step (102), where the COX-2 structure corresponds to Protein Data Bank identifier 5IKQ, and retrieving a molecular structure of berberine from a chemical database in a step (106), where the berberine structure corresponds to PubChem compound identifier 2353. The method (100) performs a molecular docking simulation between the COX-2 structure and the berberine structure using AutoDock Vina algorithm in a step (110) to generate binding poses and calculate binding affinity values. The method (100) predicts absorption, distribution, metabolism, excretion, and toxicity properties of the berberine using computational pharmacokinetic modeling tools in a step (114)."

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