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. 2023 Oct 23;28(20):7230. doi: 10.3390/molecules28207230
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