Synthesis, characterization, in silico and in vitro studies of an amino derivative of embelin as potent anticancer agent against human breast cancer cell line MCF-7

Posted by ijrrpas | Posted in IJRRPAS (2017) VOL.7(1) | Posted on 19-11-2017

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Authors:
Archana P.Das, Annette Fernandez, B.Arunkumar, Shiny P.Laila, V.S.Vishnu and B.N.Bessy Raj

Abstract:
The 4–aminoantipyrine derivative of embelin, 5–(1,5–Dimethyl–3–oxo–2–phenyl–2,3–dihydro–1H–
pyrazol–4–ylamino)–2–hydroxy–3–undecyl–[1,4]benzoquinone (EAP) was synthesized and characterized
by various physicochemical techniques including single crystal XRD. Embelin and its derivative EAP
were subjected to in silico molecular docking studies against MCF–7 breast cancer cell lines. 5–
flurouracil (5–FU) and Doxorubicin (DOX) were taken as standards. The docking results revealed EAP
to possess greater affinity when compared to embelin and 5–flurouracil (5–FU). This was substantiated
by in vitro analysis. The study reveals EAP to be a potential lead molecule to fight breast cancer.

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