MUMBAI, India, Jan. 2 -- Intellectual Property India has published a patent application (202541122222 A) filed by Vellore Institute Of Technology, Vellore, Tamil Nadu, on Dec. 4, 2025, for 'computational method for screening phytochemicals as breast cancer therapeutics.'
Inventor(s) include Satarupa Banerjee; Avirup Dey; Sambita Laha; and Sohini Chakraborty.
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 screening phytochemicals as breast cancer therapeutics. The method (100) includes collecting (102) structural data for phytochemicals from medicinal plants from a chemical database (104), performing (106) ADME and toxicity prediction analysis on the phytochemicals to identify compounds with favorable pharmacokinetic properties, constructing (108) a protein-protein interaction network with cancer related proteins using network analysis software, identifying (112) hub proteins within the protein-protein interaction network using centrality algorithms, performing (116) molecular docking simulations between the phytochemicals with favorable pharmacokinetic properties and the identified hub proteins to determine binding energies, selecting phytochemical-protein complexes having binding energies below a predetermined threshold, and validating (120) binding stability of the selected phytochemical-protein complexes through molecular dynamics simulation."
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