• ANJANA.V.S
• P. MANOJ KUMAR

Cancer is the second most common cause of death. Despite prominent progress in the field of anticancer agents, many patients suffer from resistance to currently available anticancer drugs and associated adverse effects. In the present work, different novel 1,3,4-Oxadiazole derivatives of 2-(1H-benzotriazol-1-yl) acetohydrazide were designed using ACD Lab Chemsketch12.0 and their properties were predicted using the molinspiration software. The designed leads having required physicochemical properties, drug – likeness and obeying the Lipinski Rule of Five were selected for docking studies via Biovia Discovery Studio. Compounds 3f, 3j and 3g showed excellent activities on Focal adhesion kinase, compounds 3g, 3h and 3f showed good activities on Enoyl-acyl carrier protein reductase and compounds 3f, 3g and 3j showed good activities on 14 α -Demethylase enzyme. Molecular docking studies were done to assess the binding mode and interactions of designed leads to hits at the binding site of the receptors. Results of in-silico studies showed that most of the compound have excellent drug likeness properties and pharmacokinetic profile. Here in we concluded that 1,3,4-Oxadiazole derivatives of 2-(1H-benzotriazol-1-yl) acetohydrazide could be considered as promising scaffolds towards the development of novel anticancer, antibacterial and antifungal agents.

Benzotriazole, Oxadiazoles, Anticancer activity, Antibacterial activity, Antifungal activity, In- silico studies, Biovia Discovery Studio

"IN-SILICO DESIGN AND DOCKING STUDIES OF NOVEL 1,3,4-OXADIAZOLE DERIVATIVES OF 2-(1H-BENZOTRIAZOL-1- YL)ACETOHYDRAZIDE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.8, Issue 9, page no.c135-c154, September-2021, Available :http://www.jetir.org/papers/JETIR2109217.pdf

"IN-SILICO DESIGN AND DOCKING STUDIES OF NOVEL 1,3,4-OXADIAZOLE DERIVATIVES OF 2-(1H-BENZOTRIAZOL-1- YL)ACETOHYDRAZIDE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.8, Issue 9, page no. ppc135-c154, September-2021, Available at : http://www.jetir.org/papers/JETIR2109217.pdf