TABLE 2.
In silico antiviral activity of various herbal extracts against coronavirus protein target.
| No. | Herbs | Compounds | Inhibition target | Docking binding energy (kcal/mol) | References | |
|---|---|---|---|---|---|---|
| PLpro | 3CLpro | |||||
| 1. | Various (Traditional Chinese Medicine Systems Pharmacology Database) | Coumaroyltyramine | PLpro and 3CLpro | −3.22 | −4.18 | Zhang et al. (2020) |
| Cryptotanshinone | PLpro and 3CLpro | −5.25 | −6.23 | |||
| Desmethoxyreserpine | Replication, 3CLpro, 3CLpro | Not significant | −3.52 | |||
| Dihomo-γ-linolenic acid | S protein | Not significant | −3.88 | |||
| Kaempferol | Replication, 3CLpro | −2.15 | −6.01 | |||
| Lignan | PLpro | Not significant | −4.27 | |||
| Moupinamide | PLpro and 3CLpro | −3.05 | Not significant | |||
| N-cis-feruloyltyramine | PLpro and 3CLpro | −3.11 | −4.31 | |||
| Quercetin | Replication, 3CLpro | −4.62 | −6.25 | |||
| Sugiol | PLpro and 3CLpro | Not significant | −6.04 | |||
| Tanshinone IIa | PLpro and 3CLpro | −5.02 | −5.17 | |||
| 2. | Various (Traditional Chinese Medicine Database) | Aurantiamide acetate | SARS-CoV cathepsin-L (−50.767 kcal/mol) | Not carried out | Not carried out | Wang et al. (2007) |
| 3. | Various (flavonoid library) | Herbacetin | SARS & MERS-CoV 3CLpro | Not carried out | –9.263 & −10.246 | Jo et al. (2020) |
| Rhoifolin | SARS-CoV 3CLpro | Not carried out | –9.565 | |||
| Pectolinarin | SARS-CoV 3CLpro | Not carried out | –8.054 | |||
| Isobavachalcone | MERS-CoV 3CLpro | Not carried out | −9.364 | Jo et al. (2019) | ||
| Quercetin 3-β-d glucoside | MERS-CoV 3CLpro | Not carried out | −9.751 | |||
| Helichrysetin | MERS-CoV 3CLpro | Not carried out | −9.953 | |||
| 4. | Veratrum sabadilla Retz. | Sabadinine | 3CLpro | Not carried out | −11.6 | Toney et al. (2004) |