TABLE 1.
Plant secondary metabolites as probable drug candidates for COVID-19.
| Metabolites | Drug targets | Applied computational approach | Study group |
|---|---|---|---|
| Curcumin, nimbin, withaferin A, piperine, mangiferin, thebaine, berberine, and andrographolide | ACE-2 and spike protein | _ | Maurya et al. (2020) |
| Chebulagic acid | ACE-2 and spike protein | Molecular docking | Krishnasamy et al. (2020) |
| Emodin, hesperidin, and chrysin | ACE-2 and spike protein | Molecular docking and modeling of protein | Basu et al. (2020) |
| Curcumin, epigallocatechin gallate, chrysophanol, and apigenin | Spike protein | Molecular docking | Subbaiyan et al. (2020) |
| Quercetin, magnoflorine, luteolin, tinosponone, cirsimaritin, chrysoeriol, and vasicinone | Spike protein | Molecular docking | Kiran et al. (2020) |
| Digitoxigenin, crocin, and β-eudesmol | Main protease | Molecular docking | Aanouz et al. (2020) |
| Folic acid, hispidin, and lepidine-E | Main protease | Structure activity relationship and molecular docking | Serseg et al. (2020) |
| Baicalin, hypericin, 3-glucoside, cyanidin, and glabridin | Main protease | _ | Islam et al. (2020) |
| Benzylidenechromanones | Main protease | Molecular docking and bioinformatics | Sepay et al. (2020) |
| Leucoefdin | Main protease | Molecular docking and molecular dynamic simulation | Singh and Mishra (2020) |
| Arjunglucoside-I, carnosol, and rosmanol | Main protease | Virtual screening, molecular docking, and molecular dynamic simulation | Umesh et al. (2020) |
| Withaferin A, silybin, quercetin, cordioside, and catechin | Spike protein, MPro, and RdRp | Molecular docking | Pandit and Latha (2020) |
| (±) 6-acetonyldihydrochelerythrine, allocryptopine, and protopine | RdRp | Molecular docking | Pandeya et al. (2020) |
| Piceatannol, resveratrol, pinosylvin, and pterostilbene | ACE-2 receptor | Molecular docking | Wahedi et al. (2020) |
| Chloroquine, isothymol, and captopril | ACE-2 receptor | Drug-likeness, PASS and P450 site of metabolism prediction, pharmacophore mapper, molecular docking, and dynamic simulation | Abdelli et al. (2020) |
| Macaflavanone E, belachinal, and vibsanol B | Envelope protein | Protein sequence analysis, dynamic simulation, molecular docking, and intermolecular interaction | Gupta et al. (2020) |
| Myricitrin, amaranthin, calceolarioside B, licoleafol, methyl rosmarinat, and colistin | 3CLpro | _ | Rothan and Byrareddy (2020) |
| Cryptoquindoline, 10-hydroxyusambarensine, 20-epibryonolic acid, 22-hydroxyhopan-3-one, cryptospirolepine, 6-oxoisoiguesterin, and isoiguesterin | 3CLpro | Drug-likeness, prediction analysis, and ligand–protein interaction | Gyebi et al. (2020) |
| Coumarine and flavone | 3CLpro | Structure-based virtual screening and molecular dynamic simulation | Khan et al. (2020) |
| Nimocin, nimbolin A, and cycloartanols | Envelope and membrane proteins | Virtual screening, molecular dynamic simulation, and docking | Borkotoky and Banerjee (2020) |
| Glabridin, apigenin, glycoumarin, glucobrassicin, and oleanolic acid | 6LU7 and 6Y2E proteases | Molecular docking analysis | Sampangi-Ramaiah et al. (2020) |