COMPARATIVE MODELING OF PROSTATE SPECIFIC ANTIGEN AND IN SILICO DRUG DESIGNING
Pavithra Venkateshaiah, Sathisha Tumkur Gururaja, Kasturi Kondapalli*, Jeevan Amos Seelam, Seelam Swarupa Rani and KRS Sambasiva Roa.
ABSTRACT
The present study was aimed at finding a better alternative of Flutamide, an anticancer, anti-androgenic drug. The target protein selected is Prostate Specific Antigen (PSA). Comparative modelling of PSA was performed and best model was predicted and validated. The validated 3D structure was taken to study its interaction with Flutamide. Molecular docking of Flutamide and its analogues was performed. Results showed that out of 50 analogues lead number 11 having minimum E-min -239.90 compared to -202.65 of Flutamide. However further experimental and clinical verification is needed to establish these analogues as drug.
Keywords: PSA, Comparative modeling, flutamide, docking, in silico drug designing.
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