Table 2.
S.No | Virus | Flavonoid | Experiment model | IC50/Binding Energies | Inhibition target |
---|---|---|---|---|---|
1 | Coronavirus. SARS-CoV-2 | Epigallocatechin Gallate (EGCG) | In-vitro | IC50 = 7.58 μg/ml | Main protease-MPro |
2 | Theaflavin | In-vitro | IC50 = 8.44 μg/ml | Main protease-MPro | |
3 | Myricitrin | In-silico | Binding energy = −8.9 kcal/mol | Main protease-MPro | |
4 | Taiwanhomoflavone A | In-silico | Binding energy = −9.6 kcal/mol | RNA-dependent RNA-Polymerase (RdRp) and Human Angiotensin Converting Enzyme-2 (hACE-2) | |
5 | Rutin | In-silico | Binding energy = −8.2072 kcal/mol | Main protease-MPro | |
6 | Fisetin | In-silico | binding affinity score= −8.5 kcal/mol | spike protein | |
7 | Biochanin A | In-silico | Docking energy score= −78.41 | Protease domain-ACE-2 & RBD-Spike protein | |
8 | Silymarin | In-silico | Docking energy score= −121.28 kcal/mol | Protease domain-ACE-2 & RBD-Spike protein | |
9 | Quercetin | In-silico | binding affinity score= −8.5 kcal/mol | spike protein | |
binding affinity score= −9.2 kcal/mol | Main protease-MPro | ||||
10 | Narcissin | In-silico | binding affinity score= −8.2530 and | Main protease-MPro | |
11 | kaempferol-3-O-rutinoside | In-silico | binding affinity score= −8.1203 kcal/mol | Main protease-MPro | |
12 | Naringin | In-silico | binding energy = −9.8 kcal/mol | Spike protein |
(IC50) The half-maximal inhibitory concentration is a measure of a substance's ability to inhibit biological activity. Binding affinity, energy scores are the energy values when a ligand bind to a protein in Molecular Docking studies, Or The binding free energy is defined as the sum of the ligand's inter-molecular interactions with the protein and the ligand's internal steric energy.