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. 2025 Sep 10;26(18):8827. doi: 10.3390/ijms26188827
ABTS 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)
ADMET Absorption, Distribution, Metabolism, Excretion, and Toxicity
Are Acetyl-resveratrol
B3LYP Becke Three-Parameter Hybrid Functional Combined with Lee–Yang–Parr Correlation Functional
Cre Cis-trismethoxy resveratrol
COX Cyclooxygenase enzymes
Dre Dihydroresveratrol
DFT Density Functional Theory
DPPH 2,2-Diphenyl-2-picrylhydrazyl
DMSO Dimethyl Sulfoxide
DOS Density of States
EHOMO Energy of the Highest Occupied Molecular Orbital
ELUMO Energy of the Lowest Occupied Molecular Orbital
Egap HOMO–LUMO energy gap
FRAP Ferric Reducing Antioxidant Power
IC50 Half-Maximal Inhibitory Concentration
Ore Oxyresveratrol
ORAC Oxygen Radical Absorbance Capacity
PDB Protein Data Bank
ROS Reactive Oxygen Species
MEP Molecular Electrostatic Potential
MW Molecular Weight
MD Molecular Dynamics
L-DOPA L-3,4-dihydroxyphenylalanine
HSV Herpes Simplex Virus
TPSA Total Polar Surface Area
TPTZ 2,4,6-Tris(2-pyridyl)-s-triazine