Two series of 3-substituted-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5] thieno[2,3-d]pyrimidin-4(3H)-one (6a-k) and 3-substituted-7,2-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (7a-k) derivatives were synthesized and characterized using spectral data i.e., IR, 1H-, 13C-NMR, Mass and CHN elemental analyses. The synthesized compounds were evaluated for antibacterial activity against each of two strains of Gram-positive (Bacillus subtilis and Staphylococcus aureus) and Gram-negative (Escherichia coli and Klebsiella pneumoniae) bacteria and antimycobacterial activity screened against two strains i.e., Mycobacterium tuberculosis (MTB) H37Rv and an isoniazid-resistant clinical sample. Further to validate potentiality of our design was analyzed using molecular docking studies by taking crystal structure of MTB pantothenate synthetase (MTB-PS) (PDB: 3IVX). In this study, some compounds 6k (Minimum Inhibitory Concentration (MIC): MIC-22 µM), 7d (MTB: MIC-22 µM) and 7k (MTB: MIC-11 µM) showed potential antibacterial and antimycobacterial activities.

中文翻译：

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一些7-甲基-5,6,7,8-四氢吡啶并[4'，3'：4,5]噻吩并[2,3-d]嘧啶-4（3H）-ones的合成，抗分枝杆菌评价和对接研究。

两个系列的3-取代的-7-甲基-5,6,7,8-四氢吡啶并[4'，3'：4,5]噻吩并[2,3-d]嘧啶-4（3H）-一个（6a- k）和3-取代的7,2-二甲基-5,6,7,8-四氢吡啶并[4'，3'：4,5]噻吩并[2,3-d]嘧啶-4（3H）-一个（合成并使用光谱数据（即IR，1H-，13C-NMR，质量和CHN元素分析）表征7a-k）衍生物。评价合成的化合物对革兰氏阳性菌（枯草芽孢杆菌和金黄色葡萄球菌）和革兰氏阴性菌（大肠杆菌和肺炎克雷伯菌）的两种菌株的抗菌活性，并针对两种菌株（即结核分枝杆菌（MTB））筛选抗分枝杆菌活性。 H37Rv和耐异烟肼的临床样品。为了进一步验证我们设计的潜力，我们通过分子对接研究分析了MTB泛酸合成酶（MTB-PS）（PDB：3IVX）的晶体结构。在这项研究中，某些化合物6k（最小抑菌浓度（MIC）：MIC-22 µM），7d（MTB：MIC-22 µM）和7k（MTB：MIC-11 µM）显示出潜在的抗菌和抗分枝杆菌活性。