Computational Molecular Docking Models and Design of Diarylpentanoids for the Androgen Receptor

LIST OF ABBREVIATIONS 
Abbreviation
 
Meaning
3D-QSAR 
Three-Dimensional Quantitative Structure Activity Relationships 
AR 
Androgen Receptor 
Co-Reg 
Co-regulators 
CoMFA 
Comparative Molecular Field Analysis 
CoMSIA 
Comparative Similarity Indices Analysis 
CRPC 
Castration Resistant Prostate Cancer 
DBD 
DNA Binding Domain 
DHT 
Dihydrotestosterone 
GLG 
Grid LoG file 
GPF 
Grid Parameter File 
GTA 
General Transcription Apparatus 
HSP90 
Heat Shock Binding Protein 90 
LBD 
Ligand Binding Domain 
LNCaP 
Androgen-sensitive Human Prostate Adenocarcinoma Cells 
LPC 
Ligand Binding Pocket 
MOA 
Mechanism of Action 
NF
κ
B 
Nuclear Factor Kappa B 
NTD 
N-Terminal Domain 

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XIII 
P 
Phosphorylated 
PAINS 
Pan-Assay Interference Compounds 
PCa 
Prostate Cancer 
PDB 
Protein Database (file) 
PDBQT 
Protein Data Bank, Partial Charge (Q), and Atom Type(T), file 
pIC50 
-log of the 
!"
of mean concentrations that inhibit growth by 50% and 
variation between replications was less than 5% 
PP 
Pyrvinium Pamoate 
PSA 
Prostate Specific Antigen 
RCSB 
Research Collaboratory for Structural Bioinformatics 
ROS 
Reactive Oxygen Species 
SAR 
Structure Activity Relationship 
SHB 
Sec Hormone Binding Protein 
SYBYL X 
1.3 
Intuitive Molecular Modeling for Life Scientists Interested in Drug and 
Molecular Design 
T 
Testosterone 
 

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