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首页> 外文期刊>Anti-infective agents >Synthesis, Screening and Docking Analysis of Novel Benzimidazolium and Benzotriazolium Compounds as Potent Anti Tubercular Agents
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Synthesis, Screening and Docking Analysis of Novel Benzimidazolium and Benzotriazolium Compounds as Potent Anti Tubercular Agents

机译：新型苯并咪唑和苯并三唑化合物的合成，筛选和对接分析为有效的抗结核剂

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Introduction: Tuberculosis is an infectious bacterial disease that mainly affects thelungs. Globally, there are about 10.5 million new cases and about 1.5 million deaths reported eachyear as per science daily research news in 2017.Objective: One of the biggest problems of Tuberculosis is the lack of effective treatments. Bedaquiline(2013) and Delaminid (2014) are the only two agents approved for TB after Rifampicin. Thisclearly shows the need for new lead molecules to fight against TB.Methodology: A series of benzimidazolium and benzotriazolium derivatives were synthesized andthe structures were confirmed by their IR, 1H NMR,13C NMR and mass spectral data. They weretested for in vitro antitubercular activity by MABA Assay, MTT Assay and axenic culture assay.To determine selective TB activity, they were also tested for antimicrobial activity and cytotoxicity.Docking simulations and drug-inhibitor combination studies were conducted to know the probablemechanism of action.Results: Among the synthesized compounds B10, B11, B13, B14, B22, B23, B24, B25, B26 andB27 showed excellent anti TB activity with an MIC 3.12-0.8 μg/mL. Among these, compound 1,3-bis(4-chlorobenzyl)-1H-benzo[d]imidazol-3-ium chloride (B11) has shown selective anti TB activityagainst Mycobacterium tuberculosis H37Rv (0.8μg/mL) in MABA assay. This compoundhasn’t shown any antimicrobial (at 100μg/mL) and cytotoxicity (at 10μM). Docking studies anddrug-inhibitor combination studies indicated that the compounds might act via enzymes involved inthe cell division process.Conclusion: In conclusion, we synthesized molecules with potent and selective anti TB activity.
机译：简介：结核病是一种主要影响Thelungs的传染性细菌疾病。在全球范围内，根据2017年的科学日常研究新闻，大约有1050万新案例和约150万人死亡人数。目的：结核病最大问题之一是缺乏有效的治疗方法。 Bedaquiline（2013）和Delaminid（2014）是在利福平后唯一用于结核病的两个代理商。这本来表明需要新的铅分子对抗TB.M​​ethodology：合成一系列苯并咪唑鎓和苯并三唑衍生物，通过其IR，1H NMR，13C NMR和质谱数据证实了结构。它们通过MABA测定，MTT测定和轴烯培养测定进行体外抗细胞活性。确定选择性结核病活性，还测试了对抗微生物活性和细胞毒性的影响。进行了模拟和药物抑制剂组合研究以了解验证作用。结果：在合成化合物B10，B11，B13，B14，B22，B23，B24，B25，B26和B27中，B25，B26和B27显示出优异的抗TB活性，MIC3.12-0.8μg/ mL。其中，化合物1,3-双（4-氯苄基）-1H-苯并[D]咪唑-3-IuM氯化物（B11）显示了MABA测定中的选择性抗TB acthudaAgainst分枝杆菌H37RV（0.8μg/ ml）。该化合物未显示任何抗微生物（100μg/ ml）和细胞毒性（10μm）。对接研究和抑制剂组合研究表明，化合物可能通过酶涉及细胞分裂方法的酶作用。结论：总之，我们合成具有有效和选择性抗TB活性的分子。

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