Search for new potential breast cancer inhibitors (MCF7) based on molecular docking and biological assay of pyrazoline analogue compounds

Abstract

Cancer is the leading cause of death in world. Currently, there are no approved vaccines to avoid the spreading of this disease. Drug discovery have played important role for discover of new potent drugs that could efficiently and cost-effectively. Pyrazoline analogue compounds known to have good potency as anti-cancer. The aim of this study is to observe the potency of these pyrazoline analogue as anticancer using molecular docking. In this study, ten pyrazoline analogue compounds were docked and tested on MCF7 cell line using MTT assay. Based on docking results, compound PH CN1-4F explored three interations with amino acid residues. These interactions are hydrogen bonding with Arg791, hydrophobic interaction with His790 and van der Waals interaction with Asp810. Biological assay was shown that this compound is also have big potency as breast cancer inhibitor with IC50 value of 61.22 μg/mL. Thus, this strategy can be used to identify new potent drugs as new inhibitor for breast cancer.