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    Synthesis of sustainable heterocyclic aryl sulfonamide derivatives: computational studies, molecular docking, and antibacterial assessment
    (Polymer Soc Korea, 2025) Kumar, Ajay; Masroor, Sheerin; Kaya, Savas; Katin, Konstantin P.; Berisha, Avni; Khan, Mohammad Ehtisham; Ali, Wahid
    The treatment of infectious diseases is impacted by the emergence of multidrug-resistant microbiological infections. Due to the long-term usage of antibacterial clinical drugs, microbes develop resistance to clinical drugs. To take advantage of the potential of these families of chemicals, several derivatives of thiophene containing p-toluene sulfonamide (TPS) were prepared using an eco-friendly method with high yields. These synthetic derivatives had a wide range of structural diversity to demonstrate a structure-activity link. In multi-component reaction (MCR), the versatile reactants (1 mmol) react for up to 6-8 h at pH 7.2 +/- 0.2 and temperature 70 +/- 1 degrees C. The reaction involved the reusable organic catalyst l-Proline (1 mol%), and the mechanisms through a Knoevenagel condensation pathway, which has the advantage of effectively producing the described thiophene derivatives (TD). Then, further TD reacts with p-toluene sulfonamide (Tosyl-Cl) at 0 degrees C within 10-12 h to provide the final product TPS. The present investigation provides an inexpensive and eco-friendly method of TPS derivatives. A perusal of the tables indicates that TPS derivatives exhibited promising activity against S. typhimurium as compared to E. coli and S. aureus. The compounds having good activity contained electron-withdrawing as well as electron-donating substituent groups on the benzaldehyde benzene ring of the amino part of the amide.Graphical abstract Green sustainable development of multi component heterocyclic aryl sulfonamide reaction