Design and synthesis of Meldrum's acid based 7-azaindole anchored 1,2,3-triazole hybrids as anticancer agents
Murali Krishna Vanga, Rambabu Bhukya, Vishnu Thumma, S. S. S. S. Sudha Ambadipudi, Vijayashree Nayak, Sai Balaji Andugulapati, Vijjulatha Manga
Abstract
values of 6.67 ± 0.39 μM, 4.44 ± 0.32 μM, 12.38 ± 0.51 μM and 9.97 ± 0.25 μM against MCF-7, HeLa, DU-145 and HepG2 cell lines respectively. Compounds 6m (9.68 ± 0.10 μM) and 6n (9.52 ± 0.38 μM), which have dimethoxy and trimethoxy substitutions, respectively, have demonstrated significant anticancer activity against HeLa cells compared to the other cells. The molecular docking study of ligand 6b against the crystal structure of EGFR and Mcl-1 scored notable binding energy values and displayed important interactions like H-bond, π-cation and other hydrophobic interactions.
Topics & Concepts
HybridCombinatorial chemistryTriazole1,2,3-TriazoleChemistryStereochemistryBiologyOrganic chemistryBotanyClick Chemistry and ApplicationsSynthesis and biological activityComputational Drug Discovery Methods