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Article Abstract
Four new hybrid compounds (-) bearing pyrazole ( and ) and chalcone ( and ) fragments were synthesized and characterized. Compounds were assayed for their ability to inhibit the proliferation of human lung (A549) and colon (Caco-2) cancer cell lines. Besides, toxicity against normal cells was determined using the human umbilical vein endothelial cells (HUVEC). molecular docking, molecular dynamics (MD) simulation and absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies were carried out to predict the binding modes, protein stability, drug-likeness and toxicity of the reported compounds. The anticancer activity of the tested compounds revealed dose-dependent cell-specific cytotoxicity. studies revealed that the compounds have a good binding affinity, possess appropriate drug-likeness properties and have low toxicity profiles.Communicated by Ramaswamy H. Sarma.
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| http://dx.doi.org/10.1080/07391102.2023.2199867 | DOI Listing |
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