文章基本信息

标题：Comparative modeling and in silico characterization of FtsH from Mycobacterium tuberculosis
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作者：Ashwini K ; Vemula Vani
期刊名称：International Journal of Fundamental and Applied Sciences
印刷版ISSN：2278-1404
出版年度：2016
卷号：5
期号：1
页码：16-22
出版社：BioMedAsia
摘要：Tuberculosis (TB) is a major global health problem causing over one million deaths per year. The causative agent responsible for causing TB is Mycobacterium tuberculosis. In host-parasite diseases like tuberculosis, proteins as drug target are first preference. Multidrug-Resistant Tuberculosis (MDR TB) occurs when Mycobacterium tuberculosis strain is resistant to isoniazid and rifampin, two of the most powerful first-line drugs. FtsH is a membrane bound ATP dependent Zinc-metalloprotease which proteolytically regulates the level of specific membrane and cytoplasmic proteins that participate in diverse cellular function. FtsH is essential membrane – bound protease that degrades integral membrane proteins as well as cytoplasmic proteins. Aim: The objectives of the present study are to determine the three- dimensional (3D) structure of topological domain of FtsH from Mycobacterium tuberculosis using comparative modeling and its in silico characterization. Methodology: The sequence for FtsH was retrieved from UNIPROT database and sequence analysis was carried out using BLAST and FUGUE for the selection of template. The crystal structure of FtsH from Thermatogamaritima was selected as a template. The protein modeling was carried out using ModWeb and Swissmodeller. The obtained 3D model of the FtsH was visualized and analyzed using Chimera. This modeled protein structure was refined by loop modeling. Later, the quality of the protein structure was verified by its energy and stereochemical properties. Further, the in sillico characterization of the FtsH was carried out. Result: The 3D structure of FtsH, obtained from this study can be used in developing novel inhibitors using the methods of rational drug designing
关键词：FtsH; Comparative modeling; tuberculosis; in silico characterization; 3D structure