Search of Potential Inhibitor Against New Delhi Metallo-beta-lactamase 1 from a Series of Antibacterial Natural Compounds

Overview

Journal J Nat Sci Biol Med

Specialty General Medicine

Date 2013 May 2

PMID 23633835

Citations 14

Authors

Prasoon Kumar Thakur

Jitender Kumar

Divya Ray

Farah Anjum

Md Imtaiyaz Hassan

Affiliations

Soon will be listed here.

Abstract

Background: New Delhi metallo-β-lactamase-1 (NDM-1)-producing Gram-negative bacteria are today's major worldwide health concern. The enzyme NDM-1 provides bacterial resistance by its hydrolytic activity against the β-lactam ring of antibiotics. Inhibition of NDM-1 may prevent the hydrolysis of β-lactam ring of the antibiotics, and therefore, plays an important role against antibacterial resistance.

Materials And Methods: Here we made an attempt to design suitable inhibitors against NDM-1 from different natural antibacterial compounds using molecular docking approach.

Results: We observed that natural compounds such as Nimbolide and Isomargololone are showing an appreciable IC50 value as well as significant binding energy value for NDM-1. We further observed these compounds showing better affinity to NDM-1 on comparison with 14 β-lactam antibiotics.

Conclusion: Finally, our study provides a platform for the development of a potent inhibitor of NDM-1, which may be considered as a potential drug candidate against bacterial resistance.

Citing Articles

New N-Alkylated Heterocyclic Compounds as Prospective NDM1 Inhibitors: Investigation of In Vitro and In Silico Properties.

Kaddouri Y, Bouchal B, Abrigach F, El Kodadi M, Bellaoui M, Elkamhawy A Pharmaceuticals (Basel). 2022; 15(7).

PMID: 35890102 PMC: 9322059. DOI: 10.3390/ph15070803.

Benzimidazole and Benzoxazole Zinc Chelators as Inhibitors of Metallo-β-Lactamase NDM-1.

Jackson A, Pinter T, Talley D, Baker-Agha A, Patel D, Smith P ChemMedChem. 2020; 16(4):654-661.

PMID: 33211374 PMC: 8114186. DOI: 10.1002/cmdc.202000607.

Discovery of the Novel Inhibitor Against New Delhi Metallo-β-Lactamase Based on Virtual Screening and Molecular Modelling.

Wang X, Yang Y, Gao Y, Niu X Int J Mol Sci. 2020; 21(10).

PMID: 32443639 PMC: 7279046. DOI: 10.3390/ijms21103567.

GPU Accelerated Quantum Virtual Screening: Application for the Natural Inhibitors of New Dehli Metalloprotein (NDM-1).

Shi M, Xu D, Zeng J Front Chem. 2018; 6:564.

PMID: 30515379 PMC: 6255897. DOI: 10.3389/fchem.2018.00564.

A Sensitive Liquid Chromatography-Tandem Mass Spectrometry Method for the Determination of Nimbolide in Mouse Serum: Application to a Preclinical Pharmacokinetics Study.

Wang L, Phan D, Syn N, Xiang X, Song H, Thuya W Pharmaceutics. 2018; 10(3).

PMID: 30096831 PMC: 6161292. DOI: 10.3390/pharmaceutics10030123.

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