Molecular dynamic simulation studies of the androgen receptor complexed with 5α-dihydrotestosterone and an allosteric ligand

Author

Everardo Villarreal II, The University of Texas Rio Grande Valley

Date of Award

5-2016

Document Type

Thesis

Degree Name

Master of Science (MS)

Department

Chemistry

First Advisor

Dr. Evangelia Kotsikorou

Second Advisor

Dr. Jose J. Gutierrez

Third Advisor

Dr. Frank B. Dean

Abstract

Receptors are important drug targets for the pharmaceutical industry, since they are involved in many illnesses. Nuclear receptors are a subset of receptors that control a variety of physiological events, by expression of genes from DNA. One of the nuclear receptors, the androgen receptor, is a steroid binding receptor that controls a variety of regulatory and development functions in the body. It is also the cause of some types of cancer, so the inhibition of this receptor is crucial. One of the processes studied to inhibit the function of the receptor is to see if an allosteric ligand, TRIAC, can bind to the BF-3 site, therefore inducing a change in the receptor and release of the endogenous ligand (DHT) before there is recruitment of other coactivators.

Comments

Copyright 2016 Everardo Villarreal II. All Rights Reserved.

https://www.proquest.com/dissertations-theses/molecular-dynamic-simulation-studies-androgen/docview/1810998695/se-2

Recommended Citation

Villarreal, Everardo II, "Molecular dynamic simulation studies of the androgen receptor complexed with 5α-dihydrotestosterone and an allosteric ligand" (2016). Theses and Dissertations. 99.
https://scholarworks.utrgv.edu/etd/99