MUMBAI, India, June 22 -- Intellectual Property India has published a patent application (202641045529 A) filed by Dr. D Sudha; Satheesh Kumar M; Thilek Raj N; Manoj S; Dr. S. Balasubramanian; Dr J. Umamaheswari; S. Kavya; R. Radha; and Dr. N. Irfan on April 09, 2026, for In Silico Molecular Docking And Simulation Study Of Potential Phytochemicals For Anti Cancer Activity.
Inventors include Dr. D Sudha; Satheesh Kumar M; Thilek Raj N; Manoj S; Dr. S. Balasubramanian; Dr J. Umamaheswari; S. Kavya; R. Radha; and Dr. N. Irfan.
The application for the patent was published on June 12, 2026, under issue no. 24/2026.
Abstract: Abstract: The present invention is the In-Silico Molecular Docking and Simulation Study of Potential Phytochemicals for Anti-Cancer Activity Cancer remains a major global health challenge, necessitating novel therapeutics with high efficacy and minimal side effects. Phytochemicals from medicinal plants are promising candidates due to their diverse bioactivities. This study employs in silicp molecular docking and molecular dynamics simulations to evaluate selected phytochemicals against key cancer-related proteins. Ligand structures were obtained from public databases, and protein structures from the Protein Data Bank. Docking using AutoDock Vina assessed binding affinities and interactions, followed by molecular dynamics simulations to evaluate stability under physiological conditions. Pharmacokinetic and toxicity predictions were also performed. Results revealed that several phytochemicals exhibit strong binding, stable interactions, and favorable drug-like properties. These findings highlight their potential as anticancer agents and provide a basis for further experimental validation.
Disclaimer: Curated by HT Syndication.
