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. 2025 Oct 18;47(10):860. doi: 10.3390/cimb47100860
ADMET Absorption, Distribution, Metabolism, Excretion, and Toxicity
BBB Blood–Brain Barrier
BP Biological Process
CC Cellular Component
CYP Cytochrome P450
HIA Human Intestinal Absorption
HSP90 Heat Shock Protein 90
IC50 Half Maximal Inhibitory Concentration
MD Molecular Dynamics
MW Molecular Weight
NF-κB Nuclear Factor Kappa-light-chain-enhancer of Activated B cells
PDB Protein Data Bank
PPI Protein–Protein Interaction
PPB Plasma Protein Binding
RMSD Root Mean Square Deviation
RMSF Root Mean Square Fluctuation
SA Synthetic Accessibility
SP Standard Precision (Docking mode in Schrödinger Glide)
TPSA Total Polar Surface Area