Abstract

IN-SILICO STUDY OF ANTI-INFLAMMATORY AGENTS USING COMPUTER-AIDED DRUG DESIGN (CADD) TECHNIQUES

Shailesh S. Bansode*, Seema P. Rathod, Rushikesh D. Salunke and Ajay R. Rao

ABSTRACT

This study explores the utilization of computer-aided drug design (CADD) techniques to investigate Ketoprofen (KTP), a non-steroidal anti-inflammatory drug (NSAID), for its potential medicinal applications. NSAIDs like KTP are widely used for their analgesic, anti-inflammatory, and antipyretic properties, primarily by inhibiting the cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) enzymes. Traditional drug discovery methods can be resource- intensive and time-consuming, whereas in silico drug design offers a cost-effective and efficient alternative. By employing virtual screening methods, this approach accelerates the identification of novel compounds with therapeutic potential. Despite KTP's efficacy in treating various painful conditions, including musculoskeletal disorders and arthritis, its use may lead to gastrointestinal side effects such as
bleeding and ulcers. This study underscores the potential of in silico techniques in advancing drug discovery processes and optimizing drug efficacy and safety profiles.

Keywords: Molecular Docking, NSAID, Ketoprofen, Cyclooxygenase-1 & Cyclooxygenase-2.