| COVID-19 | Coronavirus disease 2019 |
| SARS-CoV-2 | severe acute respiratory syndrome coronavirus 2 |
| ACE2 | angiotensin-converting enzyme |
| ADMET | absorption, distribution, metabolism, and excretion/toxicity |
| MD | molecular dynamics |
| NatProDB | Natural Products Database of the Bahia Semi-Arid region |
| 3CLpro | SARS-CoV-2 Main Protease |
| CoVs | coronaviruses |
| PDB | Protein Data Bank |
| PSA | polar surface area |
| %HOA | human oral absorption in percentage |
| QPlogPo/w | logarithm of the partition coefficient in 1-octanol/water predicted by QikProp |
| QPLogBB | logarithm of the blood–brain barrier predicted by QikProp |
| QPPCaco | permeability across Caco-2 cells predicted by QikProp |
| CNS | central nervous system |
| RMSF | root-mean square fluctuation |
| LogKhsa | logarithmic human serum albumin-binding predicted by QikProp |
| EA | estimated affinities |
| Hbondcapac. | hydrogen bond capability |
| ΔEbinding | binding energy |
| QPPMDCK | permeability across Madin-Darby Canine Kidney cells predicted by QikProp |
| MW | molecular weight |
| HTS | high-throughput screening |