MUMBAI, India, Aug. 17 -- Intellectual Property India has published a patent application (202641091933 A) filed by Sr University on July 29, 2026, for Computational Method For Screening Antibacterial Phytochemical Ligands From Allium Cepa Against Mrsa Via Molecular Docking.
Inventors include Dr Gudela Krishnaveni; and Dr. Sarath Chandra Veerla.
The application for the patent was published on August 14, 2026, under issue no. 33/2026.
Abstract: Abstract of the invention: A computer;implemented method is disclosed for screening and evaluating the anti-bacterial efficacy of phytochemical ligands derived from a plant source, exemplified by Allium cepa (onion), against a drug-resistant bacterial pathogen, exemplified by Methicillin-Resistant Staphylococcus aureus (MRSA). The method integrates ligand screening based on absorption, Lipinski's Rule of Five and toxicity risk, of a disease-relevant_target_receptcir; benchmarking against_a_reference,ligarid7r_ec_eptbricomplex of_ known clinical efficacy; blind molecular docking of candidate ligand-receptor complexes; and comparative selection of candidates based on docking score and safety profile. Using this method, the phytochemicals diosgenin and folic acid were identified asa promising candidate anti-bacterial agents against MRSA, exhibiting favorable binding affinity, high absorption and/or absence of toxicity signs relative to the reference antibiotic ceftaroline, while quercetin, despite strong binding affinity, was found to carry mutagenic and tumbrigenit toxicity, risk. The invention provides a reproducible, cost- effective computational pipeline for identifying natural anti-bacterial drug candidatesail.com
Disclaimer: Curated by HT Syndication.
