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Table 6 Molecular docking results of 14 hit (overlapped) compounds against the main protease of SARS-CoV-2

From: Virtual screening of Indonesian herbal compounds as COVID-19 supportive therapy: machine learning and pharmacophore modeling approaches

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)