Quinoline‐linked 1,2,3‐Triazole Hybrids: Design, Synthesis, Anticancer Activity and Computational Investigations

ABSTRACT Synthesized a library of new quinoline‐based 1,2,3‐triazole scaffolds involving Suzuki‐Miyaura cross‐coupling and metal‐free multicomponent reactions. Evaluated their in vitro anticancer activities against human breast (MCF‐7), lung (A‐549) and liver (HepG2) cancer cell lines with reference to Doxorubicin as standard. Four compounds 5a , 5d , 5e and 5f displayed outstanding activity against all three cell lines. Compound 5a , showcasing ‐Cl in the R 2 position of the phenyl ring demonstrated potent activity with IC 50 values of 9.25 ± 0.22 , 9.56 ± 0.19 and 10.56 ± 0.19 µM against MCF‐7, A‐549 and HepG2 cell lines respectively. The compound 5f , containing m −Cl and m ‐OMe groups in R 1 and R 2 positions demonstrated potent activity with IC 50 values of 10.49 ± 0.31 (MCF‐7), 10.27 ± 0.27 (A‐549) and 11.27 ± 0.30 µM (HepG2). Compound 5f with −Cl and −I group presented potent activity with an IC 50 value of 11.40 ± 0.29 (MCF‐7), 10.42 ± 0.21 (A‐549) and 12.32 ± 0.33 µM (HepG2). Compound 5d gave out a potent activity with IC 50 values of 10.42 ± 0.25 (MCF‐7), 12.97 ± 0.22 (A‐549) and 13.05 ± 0.45 µM (HepG2). Toxicity results against Hek‐293 proved that these compounds were not harmful. The computational screening of these compounds revealed favourable drug‐likeness properties and important binding interactions against Fibroblast Growth Factor Receptor 1.