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Volume 2, Issue 3
  • ISSN: 2666-0016
  • E-ISSN: 2666-0008

Abstract

Bacteria cause various infections and are a threat to the health system. This threat is increased due to the resistance of bacteria towards antibacterial drugs. Plants are an important source of drugs including antibacterial agents. is one important plant known for its different medicinal uses. It contains different phytoconstituents responsible for its medicinal properties.

In cholera, ToxT (PDB ID: 3GBG) regulates the expression of virulence factors in . FtsZ (PDB ID: 6RVN) is a protein involved in cell division and septal wall synthesis in bacteria. MurA (PDB ID: 3SWQ) is critical for the biosynthesis of the bacterial cell wall. Flavin mononucleotide (FMN) (PDB ID: 3F2Q) is involved in the biosynthesis and transport of several protein cofactors. In most of the studies on phytoconstituents, the mechanism of action is not described. Therefore, in this study, the above target proteins were selected and specific target inhibitors were used as standard drugs. In light of the above-mentioned facts, we have proposed a mechanism of antibacterial action of phytoconstituents of based on molecular docking studies.

To propose a mechanism of antibacterial action of phytoconstituents of based on molecular docking studies.

Molecular docking studies of phytoconstituents of were performed using the Maestro 12.8 module of Schrodinger software.

Molecular docking results indicated that many constituents including rutin and phloridzin had better dock scores than standard drugs against different antibacterial targets.

From the molecular docking, different constituents may act as good inhibitors of different proteins like phloridzin may act as potent inhibitors of 3GBG, 6RVN, and 3SWQ, which can be used further for the development of new antibacterial agents.

© 2022 Bentham Science Publishers
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2022-09-16
2025-03-15

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A Mechanistic Study of the Antibacterial Activity of Phytoconstituents of Pyracantha crenulata by using Molecular Docking Studies
Curr Chin Chem 2, e220722206994 (2022); https://doi.org/10.2174/2666001602666220722112558
/content/journals/ccchem/10.2174/2666001602666220722112558
/content/journals/ccchem/10.2174/2666001602666220722112558
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  • Article Type:     Research Article
Keyword(s): 3F2Q; 3GBG; 6RVN; antibacterial; molecular docking; Pyracantha crenulata

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