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Design, Microwave Assisted Organic Synthesis and Molecular Docking Studies of Some 4 - (3H)-Quinazolinone Derivatives as Inhibitors of Colchicine- Binding Site of Tubulin

[ Vol. 5 , Issue. 3 ]

Author(s):

Rakesh D. Amrutkar* and Mahendra S. Ranawat   Pages 198 - 205 ( 8 )

Abstract:


Background: Currently, new chemical entities developed as anticancer agents against tubulin as a protein target. The present work, a quinazoline derivatives were used to design and synthesized by microwave irradiation as an anticancer agent through selective inhibitors of colchicinebinding site of tubulin by the molecular docking of quinazoline derivatives using Schrödinger, LLC, New York, NY, 2017.

Methods: Seven of quinazoline derivatives were docked into colchicine-binding site of tubulin with PDB code 5OSK.

Results: The interaction was evaluated based on the re-ranked score comparison between quinazoline derivatives with 3,4-dihydroquinazolin-2(1H)-one. The title compounds show similar type of hydrogen bond interaction; however, the compound 4a with good binding energy and RMSD interacted with THR: A179 and LYS B: 352 through NH and CO of acetamido group.

Keywords:

4-(3H)-quinazolinone, colchicine-binding site of tubulin, molecular docking, organic synthesis, 2(1H).

Affiliation:

Department of Pharmaceutical Chemistry, Mahatma Gandhi Vidyamandir’s, Samajshree Prashantdada Hiray College of Pharmacy, Malegaon (Nashik), Maharashtra, Department of Pharmaceutical Chemistry, B.N. College of Pharmacy, Udaipur, Rajasthan

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