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多环芳烃的计算机生物修复:环境化学的前沿领域。

In silico bioremediation of polycyclic aromatic hydrocarbon: a frontier in environmental chemistry.

机构信息

Dipartimento di Scienze Chimiche, Università di Catania, Viale A.Doria 6, 95125 Catania, Italy.

出版信息

J Mol Graph Model. 2013 Jul;44:1-8. doi: 10.1016/j.jmgm.2013.04.011. Epub 2013 May 14.

DOI:10.1016/j.jmgm.2013.04.011
PMID:23732301
Abstract

In recent years, the number of studies in the field of bioremediation has been growing steadily. Although a large number of studies provide information that is highly detailed and offer great amounts of knowledge on a given subject, the downside is that the hunt for more information requires the combined efforts of researchers from many areas, which are becoming increasingly difficult to attain. In this review, we present an overview of recent work investigating enzyme degradation of polycyclic aromatic hydrocarbons. In the first part, this review examines several of the new enzymes able to degrade pollutants, with special attention being given to those with a well-resolved structure. The second part explores some of the most recent work in which computational approaches, such as molecular dynamics, docking, density functional theory and database retrieval, have been employed to study enzymes with specific bioremediation activities.

摘要

近年来,生物修复领域的研究数量稳步增长。尽管大量研究提供了非常详细的信息,并为特定主题提供了大量知识,但缺点是,对更多信息的搜索需要来自许多领域的研究人员的共同努力,而这越来越难以实现。在这篇综述中,我们概述了最近研究酶降解多环芳烃的工作。在第一部分中,本文考察了几种能够降解污染物的新酶,特别关注那些结构解析度较好的酶。第二部分探讨了一些最近的工作,其中计算方法,如分子动力学、对接、密度泛函理论和数据库检索,已被用于研究具有特定生物修复活性的酶。

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Laccases: Production, Expression Regulation, and Applications in Pharmaceutical Biodegradation.漆酶:生产、表达调控及其在药物生物降解中的应用
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