FtsZ靶向寡肽的计算机辅助设计
Computer aided design of FtsZ targeting oligopeptides.
作者信息
Pieraccini Stefano, Rendine Stefano, Jobichen Chacko, Domadia Prerna, Sivaraman J, Francescato Pierangelo, Speranza Giovanna, Sironi Maurizio
机构信息
Dipartimento di Chimica and INSTM - UdR, Università degli Studi di Milano, Via Golgi 19, 20133, Milano, Italy.
Istituto di Scienze e tecnologie molecolari del CNR (CNR-ISTM), Via Golgi 19, 20133, Milano, Italy.
出版信息
RSC Adv. 2013 Feb 14;3(6):1739-1743. doi: 10.1039/C2RA21886K. Epub 2012 Dec 21.
Abstract
FtsZ is a protein involved in the bacterial division process and is thus an emerging target for antibacterial drugs. The network of interactions between FtsZ monomers necessary for exploitation of its biological function are studied here with molecular dynamics and free energy calculations. The results obtained led to the design of FtsZ targeting peptides which exhibited activity against the function of FtsZ
摘要
FtsZ是一种参与细菌分裂过程的蛋白质，因此是抗菌药物的一个新兴靶点。本文利用分子动力学和自由能计算研究了FtsZ单体之间为发挥其生物学功能所必需的相互作用网络。所得结果促成了靶向FtsZ的肽的设计，这些肽对FtsZ的功能表现出活性。
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