Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan.
Department of Bioinformatics, Kohsar University, Murree, Pakistan.
Front Cell Infect Microbiol. 2023 Mar 24;13:1017315. doi: 10.3389/fcimb.2023.1017315. eCollection 2023.
is an emerging multidrug resistance pathogen that causes sexually transmitted infections in men and women. The has demonstrated an emerging antimicrobial resistance against reported antibiotics, hence fetching the attention of researchers to address this problem. The present study aimed to find putative novel drug and vaccine targets against infection by the application of bioinformatics approaches. Core genes set of 69 N strains was acquired from complete genome sequences. The essential and non-homologous metabolic pathway proteins of were identified. Moreover, different bioinformatics databases were used for the downstream analysis. The DrugBank database scanning identified 12 novel drug targets in the prioritized list. They were preferred as drug targets against this bacterium. A viable vaccine is unavailable so far against infection. In the current study, two outer-membrane proteins were prioritized as vaccine candidates reverse vaccinology approach. The top lead B and T-cells overlapped epitopes were utilized to generate a chimeric vaccine construct combined with immune-modulating adjuvants, linkers, and PADRE sequences. The top ranked prioritized vaccine construct (V7) showed stable molecular interaction with human immune cell receptors as inferred during the molecular docking and MD simulation analyses. Considerable response for immune cells was interpreted by in-silico immune studies. Additional tentative validation is required to ensure the effectiveness of the prioritized vaccine construct against infection. The identified proteins can be used for further rational drug and vaccine designing to develop potential therapeutic entities against the multi-drug resistant .
是一种新兴的多药耐药病原体，可导致男性和女性的性传播感染。该病原体对报告的抗生素表现出新兴的抗药性，因此引起了研究人员的关注，以解决这一问题。本研究旨在通过应用生物信息学方法寻找针对感染的新型药物和疫苗靶点。从完整的基因组序列中获得了 69 株 N 株的核心基因集。鉴定了的必需和非同源代谢途径蛋白。此外，还使用了不同的生物信息学数据库进行下游分析。DrugBank 数据库扫描在优先列表中鉴定出 12 种新型药物靶点。它们被选为针对该细菌的药物靶点。到目前为止，还没有针对感染的有效疫苗。在本研究中，两种外膜蛋白被优先作为疫苗候选物进行反向疫苗学研究。利用重叠的 B 和 T 细胞优势表位，生成一种与免疫调节佐剂、接头和 PADRE 序列结合的嵌合疫苗构建体。排名最高的优先疫苗构建体（V7）在分子对接和 MD 模拟分析中，与人类免疫细胞受体表现出稳定的分子相互作用。通过计算机免疫研究解释了对免疫细胞的相当大的反应。需要进一步的验证来确保优先疫苗构建体对感染的有效性。鉴定的蛋白质可用于进一步的合理药物和疫苗设计，以开发针对多药耐药的潜在治疗实体。
