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基于利血平作用靶点的红色复合体病原体毒力因子的计算方法研究。

An in silico approach towards identification of virulence factors in red complex pathogens targeted by reserpine.

机构信息

Department of Microbiology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, India.

Biomedical Research Unit and Laboratory Animal Centre-Dental Research Cell, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, India.

出版信息

Nat Prod Res. 2021 Jun;35(11):1893-1898. doi: 10.1080/14786419.2019.1641811. Epub 2019 Jul 17.

Abstract

Oral cavity hosts an exhaustive collection of microorganisms which are known to be associated with disease such as dental caries, periodontal and deep-seated infections. Elimination of these pathogens from the site of infection remains a perplexing task, which demands the use of antibiotics. The emergence of drug resistant forms has spurred interest into identifying novel therapeutic targets against these pathogens. In this context, the present study has been designed to analyse and identify potential drug targets of the phytocompound reserpine in red complex pathogens. Computational tools were used to identify the targets, assess its functional role and virulence property. Further, the peptide epitopes present in the virulence factors were identified using BepiPred tool. The subcellular location of the virulence proteins were also elucidated using PSORTb. Reserpine was found to target vital protein transporters such as ABC transporter and efflux pumps which are known to play a crucial role in the survival of bacterial cells. Hence the present study provides substantial evidence on the anti-bacterial activity of reserpine against red complex pathogens. However, studies using the compound is warranted to further confirm the efficacy of the compound.

摘要

口腔中栖息着大量的微生物,已知这些微生物与龋齿、牙周炎和深部感染等疾病有关。从感染部位消除这些病原体仍然是一项令人困惑的任务,这需要使用抗生素。耐药形式的出现促使人们有兴趣寻找针对这些病原体的新的治疗靶点。在这种情况下,本研究旨在分析和鉴定植物化合物利血平在红色复合体病原体中的潜在药物靶点。使用计算工具来识别靶点,评估其功能作用和毒力特性。此外,还使用 BepiPred 工具鉴定了毒力因子中的肽表位。使用 PSORTb 阐明了毒力蛋白的亚细胞定位。利血平被发现靶向重要的蛋白转运体,如 ABC 转运体和外排泵,这些蛋白在细菌细胞的存活中起着至关重要的作用。因此,本研究提供了利血平对红色复合体病原体具有抗菌活性的实质性证据。然而,需要使用该化合物进行研究,以进一步证实该化合物的功效。

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