ADMET |
absorption, distribution, metabolism, excretion, and toxicity |
ADORA1 |
adenosine A1 receptor |
AKT |
protein kinase B |
AO |
acridine orange |
ARE |
antioxidant response element |
ATAD5 |
ATPase family AAA domain-containing protein 5 |
BBB |
blood–brain barrier |
CADD |
computer-assisted drug design |
CDK2 |
cyclin-dependent kinase 2 |
CYP |
cytochrome P |
DFT |
density functional theory |
DMSO |
dimethyl sulfoxide |
EB |
ethidium bromide |
EMM |
molecular mechanic energies |
ERK |
extracellular signal-regulated kinase |
FBS |
fetal bovine serum |
FITC |
fluorescein isothiocyanate |
GB/SA |
generalized Born/Surface |
GI |
gastrointestinal |
GNP |
nonpolar solvation |
GPF |
grid parameter file |
GSGB |
SGB polar solvation model |
GSK-3β |
glycogen synthase kinase-3 beta |
Herg |
ether-a-go-go-related gene |
HLG |
HOMO-LUMO energy gap |
HOMO |
highest occupied molecular orbital |
HSE |
heat shock response |
JNK |
c-Jun N-terminal kinase |
LQTS |
long QT syndrome |
LUMO |
lowest occupied molecular orbital |
MCR |
multicomponent reactions |
MDR |
multidrug resistance |
MESP |
molecular electrostatic potential |
MMP |
mitochondrial membrane potential |
NF-KB1 |
nuclear factor-kappa B1 |
OPLS-AA |
optimized potential liquid solvation-all atom |
PBS |
buffered saline |
PDB |
protein data bank |
P-gp |
P-glycoprotein |
PI |
propidium iodide |
PI3K |
phosphatidylinositol 3-kinase |
PLK1 |
polo-like kinase 1 |
RMSD |
root-mean-square deviation |
RMSF |
root-mean-square fluctuation |
SLC6A14 |
sodium- and chloride-dependent neutral and basic amino acid transporter B(0+) |
TP53 |
cellular tumor antigen p53 |
TRIM24 |
transcription intermediary factor 1-alpha |