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Microwave Assisted Synthesis and Molecular Docking Studies of 3-Aryl-2-Alkyl-Quinazolin-4-one Derivatives | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Microwave Assisted Synthesis and Molecular Docking Studies of 3-Aryl-2-Alkyl-Quinazolin-4-one Derivatives

Author(s): Rakesh Devidas Amrutkar, Sonali Dilip Pawar, Mahendra Singh Ranawat

A novel series of several 2, 3 DISUBSTITUTED-QUINAZOLIN-4-ONE has been synthesized by the interaction of benzoxazinone with various amines yields quinazolin-4-one derivatives. In this study, fast flexible docking simulations were performed on GABA (A) R-beta3 homopentamer receptor. The results designate that the quinazoline ring forms hydrophobic and hydrogen bond contacts with TYR A: 157, TYR A: 205, PHE A: 200 amino acid residue.