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新兴病原体核糖核苷酸还原酶的表征以及链黑菌素作为其抑制剂的研究:一项计算研究。

Characterization of ribonucleotide reductases of emerging pathogens and and streptonigrin as their inhibitor: a computational study.

作者信息

Mahfuz A M U B, Iqbal Muhammad Nasir, Opazo Felipe Stambuk, Zubair-Bin-Mahfuj A M

机构信息

Department of Biotechnology & Genetic Engineering, Faculty of Life Science, University of Development Alternative, Dhaka, Bangladesh.

Department of Biosciences, COMSATS University Islamabad, Islamabad Campus, ICT, Pakistan.

出版信息

J Biomol Struct Dyn. 2022;40(19):9509-9521. doi: 10.1080/07391102.2021.1930166. Epub 2021 May 28.

Abstract

Antibiotic resistance is a global concern. Two members of the bacterial genus namely, and have raised much concern in recent years because of their resistance to multiple commonly used antibiotics. Identification of multidrug resistant and pan-drug resistant bacteria has propelled the search for new antibiotics that can act on unconventional targets. Researches are going on to find out the possibility of using bacterial ribonucleotide reductases as a novel target for antibiotic development. Through evaluations, this study aims for characterization and functional annotation of ribonucleotide reductase enzymes of and . Binding affinities with these enzymes of the compounds that have shown promising results in inhibiting growth by acting on its ribonucleotide reductase were also assessed by molecular docking and dynamics simulations. Insights from this study will help in battling these infections in the near future. Communicated by Ramaswamy H. Sarma.

摘要

抗生素耐药性是一个全球关注的问题。细菌属的两个成员,即[具体名称1]和[具体名称2],近年来因其对多种常用抗生素具有耐药性而备受关注。多重耐药和泛耐药细菌的鉴定推动了对可作用于非常规靶点的新型抗生素的探索。目前正在进行研究,以探寻将细菌核糖核苷酸还原酶用作抗生素开发新靶点的可能性。通过[具体评估方式]评估,本研究旨在对[具体名称1]和[具体名称2]的核糖核苷酸还原酶进行表征和功能注释。还通过分子对接和动力学模拟评估了那些通过作用于[具体名称1]的核糖核苷酸还原酶而在抑制其生长方面显示出有前景结果的化合物与这些酶的结合亲和力。本研究的见解将有助于在不久的将来对抗这些感染。由拉马斯瓦米·H·萨尔马传达。

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