Table 6 Molecular docking results of 14 hit (overlapped) compounds against the main protease of SARS-CoV-2
No | Compound name | Binding Energy (ΔG) (kcal/mol) | Sources |
|---|---|---|---|
1 | Cyanidin-3-sophoroside-5-glucoside | -6.52 | Brassica Oleracea [52]; Ipomoea Batatas [53]; Raphanus Sativus [54] |
2 | Geniposide | -7.04 | Gardenia jasminoides [55] |
3 | Hesperidin | -8.72 | Psidium guajava [56] Citrus aurantium [56] |
4 | Isoforskolin | -6.88 | Coleus forskohlii [57] |
5 | Kaempferol 3,4'-di-O-methylether (Ermanin) | -8.51 | Zingiber aromaticum [58] |
6 | Majoroside | -7.03 | Plantago major [59] |
7 | Myricetin-3-glucoside | -8.26 | Moringa oleifera [60] |
8 | Oleoside | -6.52 | Oleaceae familia (e.g. Jasminum sambac) [61] |
9 | Peonidine 3-(4’-arabinosylglucoside) | -8.52 | Ipomoea fistulosa [62] |
10 | Quercetin 3-(2G-rhamnosylrutinoside) | -8.56 | Clitoria Ternatea [63] |
11 | Rhamnetin 3-mannosyl-(1-2)-alloside | -8.48 | Moringa oleifera [64] Cassia alata [65] |
12 | Sinigrin | -5.19 | Brassica nigra [66] |
13 | Spiraeoside | -7.97 | Filipendula ulmaria [67] |
14 | Theviridoside | -7.13 | Thevetia peruviana [68] |
15 | Lopinavir | -9.41 | Antiviral drug (positive control) |