Design, Synthesis, and Screening for Anticancer and Antimicrobial Activities of New Dihydropyridine‐Anchored Pyrazole and 1,2,3‐Triazole Hybrids

Abstract Two new libraries of diethyl and dimethyl dihydropyridines‐based pyrazole and 1,2,3‐triazole hybrids ( 7a–g and 7h – n ) were synthesized via a series of reactions involving click chemistry, pyrazole synthesis, and multicomponent reaction. All the new compounds were screened for their in vitro anticancer activity and antimicrobial activities. The 4‐chloro substituted analogue ( 7i ) in dimethyl ester series showed an excellent activity against all three, namely, human breast adenocarcinoma (MCF‐7), human cervical cancer (HeLa), and human breast cancer triple‐positive (BT‐474) cell lines with IC 50 values of 0.119 ± 0.58 µM, 0.135 ± 0.13 µM, and 0.163 ± 0.31 µM, respectively compared to abemaciclib. Molecular docking studies performed on the best active compound 7i against crystal structure of CDK6 revealed its best binding score and interactions. Additionally, these libraries were screened for their antimicrobial activities and determined their MIC. Compounds with ─Cl ( 7b) , ─OMe ( 7d ), ─Me ( 7a ) substitution, and without substitution ( 7e ) significantly showed better MIC values in comparison to ampicillin and nystatin.