MOLECULAR DOCKING BASED DRUG DESIGN AND DISCOVERY: AN INSILICO APPROACH Authors: Sindhu TJ , VIPULDAS M.K, VENKIDESH RAJAGOPAL, SYAMJITH P, ANUSHA.N.D, DIGI DAVIS.C, JASNA VARGHESE AND SREEJA.K
ABSTRACT
Computer aided drug design help to minimize the tedious drug discovery process over the
traditional methods. Molecular docking based drug design and discovery is an In-Silico
approach. Main objective of molecular docking to attain ligand-receptor complex with
optimised conformation and with intention of possessing less binding free energy. The
currently available drugs have limitations of toxicity, potential drug interaction with other
drugs, insufficient pharmacokinetic properties and development of resistance. Thus,
development of new drugs with less toxicity is urgently required. The present work is aimed
to evaluate antibacterial, antitubercular, anticancer and antifungal activity of Benzimidazole,
Benzotriazole;3,5-dimethyl pyrazole and 1,2,3,4-tetrahydro carbazole.
Keywords: Molecular docking, Benzimidazole, Benzotriazole, pyrazole, 1,2,3,4-
tetrahydro carbazole Publication date: 01/11/2021 https://ijbpas.com/pdf/2021/November/MS_IJBPAS_2021_NOV_SPCL1076.pdfDownload PDFhttps://doi.org/10.31032/IJBPAS/2021/10.11.1076