Research Article

Screening for a Potential Therapeutic Agent from the Herbal Formula in the 4th Edition of the Chinese National Guidelines for the Initial-Stage Management of COVID-19 via Molecular Docking

Table 3

The results of bioactive compounds of the herbs with high binding affinity scores (≥9.0 kcal/mol).

HerbBioactive compoundsPubChem IDStructure

Atractylodes lancea (Thunb.) Dc.Atractylenolide III155948
Oroxindin3084961
Citrus reticulata BlancoHesperidin10621
Naringin442428
Magnolia officinalis Rehd. et Wils.Neohesperidin442439
Agastache rugosaAcanthoside B443024
Acteoside5281800
Campneoside5315651
Hyperin5281643
Orobanchoside6441894
Amomum tsaoko Crevost et LemarieHirsutrin5280804
Hyperin5281643
Quercetin 3-o-glucoside5280804
Quercetin 3-o-rhamnopyranosylN/A
Quercetin 3-o-rutinoside
(synonymous: rutin)
5280805
Ephedra sinica StapfCosmetin5280704
Hesperidin10621
Luteolin 7-O-glucuronide5280601
Rutin5280805
Tilianine5321954
Vitexin5280441
Chrysoeriol 7-rutinoside14374725
Coumarin-glycosideN/A
6′-feruloylnodakenin6439317