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. 2025 Jul 21;47(7):577. doi: 10.3390/cimb47070577
COVID-19 Coronavirus disease 2019
SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2
ACE2 Angiotensin-converting enzyme 2
3CLpro 3-Chymotrypsin-like protease
PLpro Papain-like protease
ORF Open reading frame
nsps Non-structural proteins
FP2 Fingerprint type 2
SMILES Simplified molecular input line entry system
PDB Protein Data Bank
PDBQT Protein Data Bank, partial charge (q), and atom type (t) format
ADME Absorption, distribution, metabolism, and excretion
RMSD Root-mean-square deviation
TPSA Topological polar surface area
DIGEP-Pred Drug-induced gene expression profile prediction
Pa Probability active