Synthesis, Evaluation and Docking Studies of Cholecalciferol Derivative SULTANAT1*, AYAZ MAHMOOD DAR1, ASIM RIZVI2 and IMRANA NASEEM2
نویسندگان
چکیده
Improved synthesis of 3b-acetoxy-9, 10-seco-19, 8(8)-spiro-5(10), 6-cholestadiene has been reported after reacting cholecalciferol acetate with dimethylbutadiene by incorporating BF3·OEt2, SnCl4, ZnBr2, p-TsOH in toluene under Diels-Alder condition to get better yields. Agarose gel electrophoresis showed the potential in vitro DNA damaging nature while as the comet assay depicted the genotoxic nature by mobilizing the tail of the comet in lymphocytes. The molecular docking depicted the intercalation of steroid derivative with minor groove of the DNA molecule and in this configuration the phosphodiester bond of DNA stabilizes the acetoxy group. The bioactivity score and PASS software analysis confirmed the potential physicochemical features of the compound to act as active drug.
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