Computational analysis of inhibitory action of Jaceosidin against Androgen receptors in Triple negative breast cancer

Ankitha K.P, Neeraj Kumar, Saima Kauser Nasir

Abstract


Triple negative breast cancer (TNBC) is highly aggressive form of breast cancer and is characterized by absence of ER, PR and HER2. Androgen receptors (ARs) are known to play a significant role in complicating the disease. AR induces uncontrolled cell growth, inhibits apoptosis and also leads to invasion and metastasis in TNBC. Inspite of development of Bicalutamide, a synthetic inhibitor of AR, disease free survival and overall survival rate couldn’t be improved in TNBC patients. Jaceosidin, a pharmacologically active flavon is known to exhibit anti-cancerous properties. The present research article is an attempt to study the interaction of jaceosidin with AR using molecular docking study by taking bicalutamide as reference. Results revealed that Jaceosidin displays better Gibbs free lower energy of binding with AR in comparison to bicalutamide.
Hence, conclusively it can be said that jaceosidin can be used as a potent inhibitor of AR to combat TNBC. More in vitro and in vivo studies along with subsequent clinical trials in humans needs to be carried out to fully explore the potential of this miraculous moiety.


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Copyright (c) 2017 Ankitha K.P, Neeraj Kumar, Saima Kauser Nasir

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