BACKGROUND Tuberculosis is a chronic infectious disease that affects one-third of the global population. The emergence of Multi-resistant (MDR) strains and high susceptibility of human immunodeficiency virus (HIV) infected persons to the disease forced to develop novel antituberculosis agents and preferably have a novel mechanism of action as to avoid cross-resistant with other agents. A literature survey indicated that Pyridine, Thiadiazole, Benzimidazole and Acetyl thiophene derivatives exhibit various pharmacological activities, including anti-mycobacterial activity. METHODS Thus, a series of Pyridine, Thiadiazole, Benzimidazole and Acetyl thiophene based molecules were designed and docked against crucial mtb enzyme target InhA (Enoyl Acyl Carrier Protein Reductase) Enzyme. The docked molecules were screened against good docking-score and multiple interactions and opted for synthesis. Synthesized molecules were recrystallized to obtain purity. All the purified compounds were characterized by various spectral analyses and evaluated for antimycobacterial activity against tuberculosis H37RV strain by Microplate Alamar Blue Assay (MABA) method. RESULTS The experimental results showed that Schiff bases of Pyridine (Compounds 'd') and Benzimidazole derivatives (Compounds 'i' ) possess good anti-tubercular activity with an MIC below 1.6 μg /mL. Furthermore, compound 'e' of benzimdazole derivative showed good antitubercular activity with an MIC below 6.25 μg /mL, whereas 2 - acetyl thiopene compounds exhibited moderate antitubercular activity below 50μg/mL. CONCLUSION The comparative in vitro and molecular docking study analysis reveals that compared to chalcones of Acetyl thiophene derivatives, Pyridine, Thiadazole and Benzimidazole based Schiff bases exhibited best antitubercular activity.

中文翻译：

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吡啶、噻唑、苯并咪唑和乙酰噻吩类似物作为靶向酶 Inh A 的抗结核剂的设计、合成和体外生物学评价。

背景技术结核病是一种影响全球三分之一人口的慢性传染病。多重耐药 (MDR) 菌株的出现和人类免疫缺陷病毒 (HIV) 感染者对该疾病的高度易感性迫使开发新的抗结核药物并优选具有新的作用机制以避免与其他药物的交叉耐药。文献调查表明，吡啶、噻二唑、苯并咪唑和乙酰噻吩衍生物表现出多种药理活性，包括抗分枝杆菌活性。方法 因此，设计了一系列基于吡啶、噻二唑、苯并咪唑和乙酰噻吩的分子，并与关键的 mtb 酶靶标 InhA（烯酰基酰基载体蛋白还原酶）酶对接。对接的分子针对良好的对接分数和多重相互作用进行筛选，并选择合成。将合成的分子重结晶以获得纯度。所有纯化的化合物通过各种光谱分析进行表征，并通过微孔板 Alamar Blue Assay (MABA) 方法评估对结核病 H37RV 菌株的抗分枝杆菌活性。结果实验结果表明，吡啶的席夫碱（化合物'd'）和苯并咪唑衍生物（化合物'i'）具有良好的抗结核活性，MIC低于1.6 μg /mL。此外，苯并咪唑衍生物的化合物'e'表现出良好的抗结核活性，MIC低于6.25 μg/mL，而2-乙酰噻吩化合物表现出中等的抗结核活性，低于50μg/mL。