Abstract

Prostate
Cancer is a type of cancer affecting the prostate gland. As the prostate gland
is directly involved with sexual reproduction, this disease affects semen
production and fertility in males. In intial stages of the disease, no symptoms
may occure but in later stages it can lead to difficulty in urination,
hematuria, pain in the pelvis, pain in back and pain while urinating. Currently
no effective treatment is available. 
Approaches such as combination of surgery, radiation therapy, hormone
therapy or chemotherapy are some prefers. N-Terminal Domain (NTD) of the
Androgen Receptor (AR) harbors the critical region for transcriptional activity
which initiates the cancer development. As reported earlier, the N-Terminal
Domain of the Androgen Receptor has already been recognized as a potential site
for therapeutic target for the discovery and development of novel anti-cancer
drugs. Currently, it has been reported that the experimental 3D structure of
the said receptor helps us exclusively to identify potential drug candidate for
the treatment of the said disease.  In
this study,  the virtual screening
technique was employed to explore the potent inhibitors of 3D structue of the
N-Terminal Domain of androgen Receptor from Zinc Database. Total 3444 hits were
identified which were further filtered based on drug-like proterties using
Lipinski’s rule of five, Egan Rule, Muegge Rule, Veber Rule, Ghose Rule. The
results showed 44 molecules as leads which were further subjected to Lead
Optimization by Molecular Docking, ADME and Toxicity study tools. The results
identified 06 potential molecules which can be useful as the potential drug
candidates for the treatment of Prostate cancer. The number of drug candidates
could be further reduced by MD simulation and the results could be validated
using In-vitro/In-vivo studies.