An efficient green approach for the synthesis of benzothiazole-linked pyranopyrazoles as promising pharmacological agents and docking studies |
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| Authors: | Guda Mallikarjuna Reddy Jarem Raul Garcia Munagapati Venkata Subbaiah Jet-Chau Wen |
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| Affiliation: | 1. Chemical Engineering Institute, Ural Federal University, 620002, Yekaterinburg, Russian Federation;2. Department of Chemistry, University of Ponta Grossa, Ponta Grossa, Parana state, Brazil;3. Research Centre for Soil & Water Resources and Natural Disaster Prevention (SWAN), National Yunlin University of Science & Technology, Douliou, Taiwan |
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| Abstract: | 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. |
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