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比较蛋白质组学分析注释嗜麦芽寡养单胞菌 k279a 假设蛋白的结构和功能关联,并预测潜在的 T 和 B 细胞疫苗靶标。

Comparative proteomic analysis to annotate the structural and functional association of the hypothetical proteins of S. maltophilia k279a and predict potential T and B cell targets for vaccination.

机构信息

Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, Bangladesh.

Reverse Vaccinology Research Division, Advanced Bioinformatics, Computational Biology and Data Science Laboratory, Chittagong, Bangladesh.

出版信息

PLoS One. 2021 May 27;16(5):e0252295. doi: 10.1371/journal.pone.0252295. eCollection 2021.

Abstract

Stenotrophomonas maltophilia is a multidrug-resistant bacterium with no precise clinical treatment. This bacterium can be a vital cause for death and different organ failures in immune-compromised, immune-competent, and long-time hospitalized patients. Extensive quorum sensing capability has become a challenge to develop new drugs against this pathogen. Moreover, the organism possesses about 789 proteins which function, structure, and pathogenesis remain obscured. In this piece of work, we tried to enlighten the aforementioned sectors using highly reliable bioinformatics tools validated by the scientific community. At first, the whole proteome sequence of the organism was retrieved and stored. Then we separated the hypothetical proteins and searched for the conserved domain with a high confidence level and multi-server validation, which resulted in 24 such proteins. Furthermore, all of their physical and chemical characterizations were performed, such as theoretical isoelectric point, molecular weight, GRAVY value, and many more. Besides, the subcellular localization, protein-protein interactions, functional motifs, 3D structures, antigenicity, and virulence factors were also evaluated. As an extension of this work, 'RTFAMSSER' and 'PAAPQPSAS' were predicted as potential T and B cell epitopes, respectively. We hope our findings will help in better understating the pathogenesis and smoothen the way to the cure.

摘要

嗜麦芽寡养单胞菌是一种多药耐药菌,目前尚无确切的临床治疗方法。这种细菌可能是免疫功能低下、免疫功能正常和长期住院患者死亡和不同器官衰竭的重要原因。广泛的群体感应能力成为开发针对这种病原体的新药的挑战。此外,该生物拥有约 789 种蛋白质,其功能、结构和发病机制仍然不清楚。在这项工作中,我们试图使用经过科学界验证的高度可靠的生物信息学工具来阐明上述领域。首先,检索并存储了该生物的整个蛋白质组序列。然后,我们分离了假设蛋白,并使用高置信度和多服务器验证搜索保守结构域,结果发现了 24 种这样的蛋白。此外,还对它们的所有理化特性进行了研究,如理论等电点、分子量、GRAVY 值等。此外,还评估了亚细胞定位、蛋白质-蛋白质相互作用、功能基序、3D 结构、抗原性和毒力因子。作为这项工作的延伸,'RTFAMSSER' 和 'PAAPQPSAS' 分别被预测为潜在的 T 细胞和 B 细胞表位。我们希望我们的发现将有助于更好地了解发病机制,并为治疗铺平道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d76c/8159010/3953fee8a685/pone.0252295.g001.jpg

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