Table 3.
Natural products and their binding energy (kcal/mol) values to Mpro, RdRp and ACE2 obtained by docking analysis [136].
No. | Compound name | Mpro | RdRp | ACE2 |
---|---|---|---|---|
Anti-tussive agents | ||||
1 | Myricitrin | −8.9 | −7.9 | −7.5 |
2 | Chrysanthemin | −8.8 | −7.7 | −7.6 |
3 | δ-Viniferin | −8.4 | −8.3 | −8.4 |
Alkaloids | ||||
4 | (−)-Asperlicin C | −9.7 | −8.7 | −9.5 |
5 | (+)-Asperlicin E | −8.8 | −9.1 | −7.7 |
6 | Oriciacridone F | −9.1 | −9.6 | −6.7 |
Flavonoids | ||||
7 | Cinnamtannin A1 | −11.0 | −10.8 | −8.2 |
8 | Epicatechin-(4β,8)-epicatechin-(4β,6)-catechin | −10.6 | −9.9 | −8.2 |
9 | Anemone purple anthocyanin 1 | −10.4 | −10.2 | −7.4 |
10 | Anemone blue anthocyanin 3 | −10.1 | −12.7 | −7.7 |
11 | Cinnamtannin D2 | −10.0 | −8.8 | −7.7 |
12 | Anemone blue anthocyanin 1 | −10.0 | −13.2 | −6.8 |
13 | Gambiriin B2 | −10.0 | −10.4 | −8.6 |
14 | Epicatechin-(4β,8)-gallocatechin | −10.0 | −10.0 | −7.6 |
15 | Cinnamtannin A3 | −9.9 | −10.4 | −6.5 |
16 | Eriodictioside | −9.9 | −12.5 | −7.4 |
17 | Quercetin 3-glucosyl-(1,4)-rhamnoside | −9.9 | −9.8 | −6.5 |
18 | Taiwanhomoflavone A | −9.6 | −9.8 | −7.8 |
Reference antiviral compound | ||||
19 | Remdesivir | −8.2 | −7.4 | −7.8 |