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

(E-pub Ahead of Print)

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

Journal Name: Current Computer-Aided Drug Design

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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 and Conclusion: 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.

Keywords: Docking, Dock score, Conformer, Protein, Ligand, Quinazolinone

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Article Details

(E-pub Ahead of Print)
DOI: 10.2174/1573409915666190916100437
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