MUMBAI, India, Aug. 17 -- Intellectual Property India has published a patent application (202641096198 A) filed by Dr. Bandi Jyothi; Dr. Rajitha Balusani; Busi Anil Kumar; Vijaya Belamkonda; Dr. G. Pranitha; Dr. K. Saritha Rani; and Dr. M. Srilatha on August 09, 2026, for Computational Drug Design System For Novel Bioactive Molecule Discovery.
Inventors include Dr. Bandi Jyothi; Dr. Rajitha Balusani; Busi Anil Kumar; Vijaya Belamkonda; Dr. G. Pranitha; Dr. K. Saritha Rani; and Dr. M. Srilatha.
The application for the patent was published on August 14, 2026, under issue no. 33/2026.
Abstract: The present invention relates to a computational drug design system for discovering novel bioactive molecular candidates using an integrated artificial intelligence- based architecture. The system receives biological target information and generates computational representations of target binding regions and molecular structures. A generative molecular design module generates candidate molecular structures based on target characteristics and molecular design constraints. Bioactivity, target interaction, ADMET, toxicity, molecular novelty, and chemical-space characteristics are computationally evaluated for the generated candidates. A multi-objective optimization module calculates composite candidate scores based on the evaluated characteristics, while an iterative molecular refinement module identifies deficiencies and modifies structural features to improve candidate profiles. The system repeatedly evaluates and ranks generated and refined candidates and outputs optimized molecular candidates for experimental validation. The architecture thereby facilitates computational exploration of chemical space and prioritization of novel molecules having balanced predicted bioactivity, pharmacological characteristics, safety, novelty, and development suitability.
Disclaimer: Curated by HT Syndication.
