Design and Molecular Docking Studies of Some 2,3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG

Author(s): Amrute B. Bhavesh*, Amrutkar D. Rakesh, Tambe R. Santosh

Journal Name: Current Computer-Aided Drug Design

Volume 16 , Issue 4 , 2020


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Graphical Abstract:


Abstract:

Background: In this present investigation, some 2, 3 disubstituted-quinazolin-4-one derivatives are designed and docked against chain A and chain B of (3WDF) receptor.

Methods: The heterocyclic fused rings quinazolinone have drawn a great attention owing to their expanded applications in the field of pharmaceutical chemistry. The diverse range of molecules with quinazoline/quinazolinone moieties have been reported to exhibit a broad spectrum of biological activities.

Results: The results designate that the quinazolinone ring forms hydrophobic and hydrogen bond contacts with ASN 127 A, ALA 126 A, and SER 83 B, SER 183 B amino acid residue.

Conclusion: Molecular docking is safe and straightforward to use tool which facilitates in investigating, interpreting, enplaning and identification of molecular properties using 3D structures.

Keywords: Docking, dock score, conformer, protein, ligand, quinazolinone.

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Article Details

VOLUME: 16
ISSUE: 4
Year: 2020
Published on: 02 September, 2020
Page: [402 - 406]
Pages: 5
DOI: 10.2174/1573409915666190916100437
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