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.pdf
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https://doi.org/10.31032/IJBPAS/2021/10.11.1076