Benzothiazole‐tethered pyranopyrazoles derivatives were prepared via environmentally favorable conditions, which included eco‐friendly catalyst, ethanol−water solvent, one‐pot reaction, and atom‐ and step‐economy procedures. Excellent yield of the products was observed. Besides, all products were screened for their antimicrobial behavior. From the biological results, it was seen that most of the compounds possessed high to moderate antimicrobial properties. Compound 6a gave prominent antimicrobial property followed by 6d, 6l, and 6n. In addition, computer‐aided studies of the active compounds were also conducted. In this, selected compounds were docked into the intercalation site of DNA of the DNA−gyrase complex. From these results, the highest binding energy of −10.1 kcal/mol was for 6a against DNA−gyrase. This is the first eco‐friendly synthetic method for the preparation of benzothiazole‐pyranopyrazoles and the synthetic effort in this study may serve as a model for additional environmentally benign reactions. The biological results may prompt further studies related to antibiotic drugs.

中文翻译：

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一种高效的绿色方法，用于合成有前途的药理学物质和对接研究，合成苯并噻唑连接的吡喃并吡唑

苯并噻唑系吡喃并吡唑衍生物是通过对环境有利的条件制备的，这些条件包括环境友好的催化剂，乙醇-水溶剂，一锅法反应以及原子经济和分步经济程序。观察到产物的优异产率。此外，对所有产品的抗菌性能进行了筛选。从生物学结果可以看出，大多数化合物具有高至中等的抗菌性能。化合物6a具有显着的抗菌特性，其次是6d，6l和6n。此外，还对活性化合物进行了计算机辅助研究。在这种情况下，选定的化合物停靠在DNA回转酶复合物的DNA插入位点中。从这些结果来看，最高的结合能-10.1 kcal / mol是针对DNA旋涡酶的6a。这是制备苯并噻唑吡喃并吡唑类的第一种生态友好的合成方法，本研究的合成成果可作为其他环境友好反应的模型。生物学结果可能会促使与抗生素药物有关的进一步研究。