Singh Gagandeep, Sharma Dixit, Singh Vikram, Rani Jyoti, Marotta Francessco, Kumar Manoj, Mal Gorakh, Singh Birbal
Centre for Computational Biology & Bioinformatics, Central University of Himachal Pradesh, Shahpur 176206, India; Centre for Computational Biology & Bioinformatics, Central University of Himachal Pradesh, Shahpur 176206, India.
Department of Botany, Punjabi University, Patiala 147002, India; Department of Botany, Punjabi University, Patiala 147002, India.
Future Sci OA. 2017 Jan 24;3(1):FSO169. doi: 10.4155/fsoa-2016-0066. eCollection 2017 Mar.
This study reports structural modeling, molecular dynamics profiling of hypothetical proteins in genome database.
The hypothetical protein sequences were extracted from LLG Genome Database for functional elucidation using methods.
Fifty-one proteins with their roles in defense, binding and transporting other biomolecules were unraveled. Forty-five proteins were found to be nonhomologous to proteins present in hosts infected by . Of these, 31 proteins were related to virulence. The structural modeling of two proteins, first, WP_006344020.1 (phosphorylase) and second, WP_006344325.1 (chlamydial protease/proteasome-like activity factor) were accomplished. The conserved active sites necessary for the catalytic function were analyzed.
The finally concluded proteins are envisioned as possible targets for developing drugs to curtail chlamydial infections, however, and should be validated by molecular biological methods.
本研究报告了基因组数据库中假设蛋白质的结构建模和分子动力学分析。
从LLG基因组数据库中提取假设蛋白质序列,采用多种方法进行功能阐释。
揭示了51种在防御、结合和转运其他生物分子方面发挥作用的蛋白质。发现45种蛋白质与感染宿主中存在的蛋白质不同源。其中,31种蛋白质与毒力相关。完成了两种蛋白质的结构建模,第一种是WP_006344020.1(磷酸化酶),第二种是WP_006344325.1(衣原体蛋白酶/蛋白酶体样活性因子)。分析了催化功能所需的保守活性位点。
然而,最终确定的蛋白质被设想为开发治疗衣原体感染药物的可能靶点,并且应该通过分子生物学方法进行验证。