MUMBAI, India, April 17 -- Intellectual Property India has published a patent application (202641022278 A) filed by Ezhilmani M, Chennai, Tamil Nadu, on Feb. 25, for 'integrated in silico and in vitro approaches for identification, structural modeling, and drug validation of a novel chrna3 antigenic peptide for targeted lung cancer therapy.'
Inventor(s) include Ezhilmani M.
The application for the patent was published on April 17, under issue no. 16/2026.
According to the abstract released by the Intellectual Property India: "Lung cancer remains the Leading cause of global cancer mortality, Largely due to Latestage detection and the urgent need for precision-based therapeutic strategies. A key factor in this challenge is the Cholinergic Receptor Nicotinic Alpha 3 (CHRNA3) gene, which demonstrates a dual pathogenic role by enhancing nicotine dependence and independently activating oncogenic signaling pathways, including cell proliferation and angiogenesis.This study proposes an integrated in-silico drug discovery pipeline to address the therapeutic gap associated with mutant CHRNA3 proteins. Advanced computational tools were employed to generate and refine three-dimensional structural models of both wild-type and pathogenic CHRNA3 variants, enabling the identification of mutation-induced conformational changes. High-resolution molecular docking was performed using the CB-Dock2 platform, which combines cavity detection with template-based docking to identify novel small-molecule and peptide inhibitors with high binding specificity. The shortlisted candidates were further evaluated for pharmacological suitabiLity using Pro-Tox-11 to assess toxicity risk and ADME properties. In addition, cytotoxic potential was bench marked with reference to standard MTI assay principles. Preliminary results indicate that targeting specific CHRNA3 binding pockets effectively disrupts non-canonical oncogenic signaling. Several Lead compounds demonstrated strong binding affinity (~G) along with minimal predicted off-target effects. By moving beyond conventional one-size-fits-all therapies toward CHRNA3- targeted molecular interventions, this work presents a precision oncology framework that connects genetic risk with rational drug design. This strategy may contribute to improved therapeutic outcomes and support personalized prevention approaches for high-risk populations. Keywords: CHRNA3, Lung Adenocarcinoma, ln-silico Modeling, Molecular Docking, Precision Oncology, Nicotinic Acetylcholine Receptors. The present invention describes the identification and structural modeling of a novel antigenic peptide derived from the CHRNA3 protein associated with Lung cancer. The peptide sequence DWKYVAMVIDRIFLWVFTLVCILGTAGLFLQP was predicted using immunoinformatics tools and modeled using SWISS-MODEL. Model validation demonstrated high structural reliability. The peptide is Located within the neurotransmitter-gated ion cha!lnel transmembrane pore domain, a critical functional region for drug interaction. Molecular docking identified potential anticancer compounds, and in vitro MTI assay in A549 Lung cancer cells demonstrated dosedependent cytotoxicity with an IC50 of 24.96 j.Jg/ml. The invention provides a novel structural target for structure-based drug design and targeted Lung cancer therapy."
Disclaimer: Curated by HT Syndication.
