Articles Accepted

Molecular Docking and Design Study for Anticancer Activity for Flavonoid Derivatives Against Breast Cancer
by Dr. Mohammed Oday Ezzat, 12 Nov 2019

Flavonoids are a class of natural polyphenolic compounds found in many plants such as vegetables, fruits, flowers and tea. Several biological, pharmaceutical and medicinal activities are already reported for these natural products including anti-inflammatory, anti-carcinogenic, anti-mutagenic and anti-oxidative properties. In this work, a total of 15 flavonoids derivatives were docked inside ER-α receptor crystal structure to predict the docking affinity of each derivative. Molecular modeling study was performed and the highest eighteen novel flavonoids derivatives were selected as hit drugs with docking score range (-13.847 to -12.466) kcal/mol. In addition, ADME properties, calculation and molecular dynamic studies were perform to evaluate the pharmacological profile of the new hit drugs.

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