Islam Md Saiful, Patwary Noman Ibna Amin, Muzahid Nazmul Hasan, Shahik Shah Md, Sohel Md, Hasan Md Anayet
Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chittagong - 4331, Bangladesh.
Toxicol Int. 2014 Sep-Dec;21(3):269-74. doi: 10.4103/0971-6580.155357.
Analyzing the structures and functions of different proteins of Wuchereria bancrofti is very important because till date no effective drug or vaccine has been discovered to treat lymphatic filariasis (LF). ATPase is one of the most important proteins of Wuchereria bancrofti. Adenosine triphosphate (ATP) converts into adenosine diphosphate (ADP) and a free phosphate ion by the action of these ATPase enzymes. Energy releases from these dephosphorylation reactions drive the other chemical reactions in the cell.
In this study we worked on the protein ATPase of Wuchereria bancrofti which has been annotated from National Center for Biotechnology Information (NCBI). Various computational tools and databases have been used to determine the various characteristics of that enzyme such as physiochemical properties, secondary structure, three-dimensional (3D) structure, conserved domain, epitope, and their molecular evolutionary relationship.
Subcellular localization of ATPase was identified and we have found that 55.5% are localized in the cytoplasm. Secondary and 3D structure of this protein was also predicted. Both structure and function analysis of ATPase of Wuchereria bancrofti showed unique nonhomologous epitope sites and nonhomologous antigenicity sites. Moreover, it resulted in 15 ligand drug-binding sites in its tertiary structure.
Structure prediction of these proteins and detection of binding sites and antigenicity sites from this study would indicate a potential target aiding docking studies for therapeutic designing against filariasis.
分析班氏吴策线虫不同蛋白质的结构和功能非常重要，因为迄今为止尚未发现有效的药物或疫苗来治疗淋巴丝虫病（LF）。ATP酶是班氏吴策线虫最重要的蛋白质之一。在这些ATP酶的作用下，三磷酸腺苷（ATP）转化为二磷酸腺苷（ADP）和一个游离磷酸离子。这些去磷酸化反应释放的能量驱动细胞中的其他化学反应。
在本研究中，我们研究了已从美国国立生物技术信息中心（NCBI）注释的班氏吴策线虫的蛋白质ATP酶。使用了各种计算工具和数据库来确定该酶的各种特征，如理化性质、二级结构、三维（3D）结构、保守结构域、表位及其分子进化关系。
确定了ATP酶的亚细胞定位，我们发现55.5%定位于细胞质中。还预测了该蛋白质的二级和三维结构。班氏吴策线虫ATP酶的结构和功能分析均显示出独特的非同源表位位点和非同源抗原性位点。此外，其三级结构中产生了15个配体药物结合位点。
本研究对这些蛋白质的结构预测以及结合位点和抗原性位点的检测将为丝虫病治疗设计的对接研究指明一个潜在靶点。
