AGA	Androgenetic Alopecia
COX-2	Cyclooxygenase-2
CTD	Comparative Toxicogenomics Database
DEGs	differentially expressed genes
DEPTGs	differentially expressed potential target genes
DGIdb	Drug–Gene Interaction Database
DHT	dihydrotestosterone
DPCs	dermal papilla cells
FOS	Fos proto-oncogene
GAFF	Generation Amber force field
GEO	Gene Expression Omnibus
GO	Gene Ontology
HF	hair follicle
HIF-1	Hypoxia-inducible factor-1
HMOX1	Heme Oxygenase 1
HT	hydroxytyrosol
ICAM1	Intercellular Adhesion Molecule 1
JUN	Jun proto-oncogene
KEGG	Kyoto Encyclopedia of Genes and Genomes
log2FC	log2 fold change
MAPK	Mitogen-Activated Protein Kinase
MCC	maximal clique centrality
MD	molecular dynamics
MNC	maximum neighborhood component
NF-κB	nuclear factor kappa-light-chain-enhancer of activated B cells
NPT	constant pressure and temperature ensemble
NVT	constant volume and temperature ensemble
PGD2	Prostaglandin D2
PGE2	Prostaglandin E2
PPI	protein–protein interaction
PTGs	predicted target genes
PTGS2	Prostaglandin-endoperoxide synthase 2
RCSB PDB	RCSB Protein Data Bank
Rg	radius of gyration
RMSD	root mean square deviation
RMSF	root mean square fluctuation
ROS	reactive oxygen species
SASA	solvent accessible surface area
SEA	Similarity Ensemble Approach
TCMSP	Traditional Chinese Medicine Systems Pharmacology Database
TIP3P	Transferable Intermolecular Potential 3-Point
TNF	tumor necrosis factor
VEGFA	Vascular endothelial growth factor A