A series of new 1,4-disubstituted 1,2,3-triazole derivatives are synthesized from Baylis-Hillman derived azides in a clean, efficient and simple method. These compounds are assessed for in vitro anticancer activity against six cancer cell lines and some of the compounds exhibited very good activity against different cell lines. Especially, three compounds 8h, 8i and 8j showed potent anticancer activity against prostate adenocarcinoma cancer cell line. Furthermore, molecular docking studies were carried out on DNA and eight different proteins involved in cancer progression to predict the possible molecular target for the synthesized molecule. As per docking results the molecules showed good binding values with respect to Heat Shock Protein and Epidermal Growth Factor Receptor, followed by Tubulin and MEK protein and is least for DNA binding.
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