Gonorrhea caused due to antimicrobial-resistant bacteria Neisseria gonorrhoeae treated using probiotic peptide.

In silico pharmacology Pub Date : 2024-03-21 eCollection Date: 2024-01-01 DOI:10.1007/s40203-023-00185-x
Gokul Sudhakaran, D Kesavan, Madesh Selvam, Abirami Arasu, Ajay Guru, Jesu Arockiaraj
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Abstract

Neisseria gonorrhea is a sexually transmitted disease from gonorrhea that lacks treatment; despite the urgency, the absence of adequate drugs, lack of human correlates of protection, and inadequate animal models of infection have delayed progress toward the prevention of gonococcal infection. Lactobacillus crispatus is a lactic acid bacterium typically found in the human vaginal microbiota. Peptides from L. crispatus have shown a potential therapeutic option for targetting N. gonorrhea. Bioinformatics analysis is important for speeding up drug target acquisition, screening refinement, and evaluating adverse effects and drug resistance prediction. Therefore, this study identified an antimicrobial peptide from the bacteriocin immunity protein (BIP) of L. crispatus using the bioinformatics tool and Collection of Antimicrobial Peptide (CAMPR3). Based on the AMP score and highest ADMET properties, the peptide SM20 was chosen for docking analysis. SM20 was docked against multiple proteins from the genome of the AMR bacterium N. gonorrhea using an online tool; protein-peptide interactions were established and visualized using the PyMol visualizing tool. Molecular docking was carried out using the CABSdock tool, and multiple conformations were obtained against the membrane proteins of N. gonorrhoea. The peptide SM20 exhibited higher docking scores and ADMET properties. Therefore, SM20 could be further encapsulated with cellulose; it can be applied topically to the genital tract to target N. gonorrhea infection. The controlled release of the antimicrobial peptide from the gel can provide sustained delivery of the treatment, increasing its efficacy and reducing the risk of resistance development.

使用益生菌肽治疗耐抗菌性淋病奈瑟氏菌引起的淋病。
淋病奈瑟菌是一种缺乏治疗手段的淋病性传播疾病;尽管迫在眉睫,但由于缺乏适当的药物、缺乏人体相关的保护措施以及感染的动物模型不足,在预防淋球菌感染方面迟迟没有进展。脆片乳杆菌是一种乳酸菌,通常存在于人体阴道微生物群中。来自脆性乳杆菌的肽显示出针对淋病的潜在治疗方案。生物信息学分析对于加快药物靶点的获取、筛选改进、不良反应评估和耐药性预测非常重要。因此,本研究利用生物信息学工具和抗菌肽收集(CAMPR3)从L. crispatus的细菌素免疫蛋白(BIP)中发现了一种抗菌肽。根据 AMP 评分和最高的 ADMET 特性,选择了多肽 SM20 进行对接分析。使用在线工具将 SM20 与来自淋病双球菌基因组的多个蛋白质进行对接;使用 PyMol 可视化工具建立并可视化蛋白质与肽的相互作用。使用 CABSdock 工具进行了分子对接,获得了与淋病菌膜蛋白的多种构象。多肽 SM20 显示出更高的对接得分和 ADMET 特性。因此,SM20 可以进一步与纤维素封装在一起;它可以局部应用于生殖道,针对淋病感染。凝胶中抗菌肽的控制释放可提供持续的治疗,提高疗效并降低耐药性产生的风险。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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