The biological activities, molecular docking studies, and anticancer effects of 1-arylsuphonylpyrazole derivatives

• Published in: Journal of biomolecular structure & dynamics Vol. 39; no. 9; pp. 3336 - 3346
• Main Authors: Taslimi, Parham, Erden, Yavuz, Mamedov, Sabir, Zeynalova, Lala, Ladokhina, Nina, Tas, Recep, Tuzun, Burak, Sujayev, Afsun, Sadeghian, Nastaran, Alwasel, Saleh H., Gulcin, Ilhami
• Format: Journal Article
• Language: English
• Published: England Taylor & Francis 13.06.2021
• Subjects: anticancer; enzyme inhibition; molecular docking; Pyrazolpiridines; pyridazole pyridines; molecular docking; Pyrazolpiridines; enzyme inhibition; pyridazole pyridines; anticancer
• ISSN: 0739-1102; 1538-0254
• DOI: 10.1080/07391102.2020.1763838

This work is devoted to definition of the direction of reaction between 1-benzenesulfonylimino pyridinium chloride and α- or β-halo-containing sulfamides, chloroacetic acid, 1-chloro-2,3-dihydroxypropane, etc. The optimal conditions for the synchronous reaction of heterocyclization are determined. Benzenesulfonyliminopyridinium chloride was obtained to form pyrazolopyridines with 1,2-polarophiles, and pyridazine pyridines with 1,3-polarophiles. These novel derivatives were found as effective inhibitors of the α-glycosidase with K i values in the range of 13.66 ± 2.63-60.63 ± 12.71 nM. The molecules (II-X) against enzyme were compared theoretically with the help of molecular docking to compare biological activities. The results were compared with the numerical values of the parameters obtained from molecular docking calculations and found to be in great agreement with the experimental results. However, ADME analysis of molecules was performed. Also, the compounds exhibited significant anticancer effect depending on the doses administered. Communicated by Ramaswamy H. Sarma