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Table 3 Molecular docking results of the ACE-2 and the ligands from the Ayurvedic preparation [4] and the co-crystallised compound

From: Compounds of Citrus medica and Zingiber officinale for COVID-19 inhibition: in silico evidence for cues from Ayurveda

Compound

Plant

GlideScore

XX5*

Standard

− 4.36

Neohesperidin

C. medica

− 9.94

Hesperidin

C. medica

− 8.28

10-Paradol

Z. officinale

− 6.11

8-Paradol

Z. officinale

− 4.76

Scopoletin

Z. officinale

− 4.73

10-Shogaol

Z. officinale

− 4.70

8-Gingerol

Z. officinale

− 4.69

10-Gingerol

Z. officinale

− 4.56

  1. XX5*—(S,S)-2-{1-Carboxy-2-[3-(3,5-Dichloro-Benzyl)-3h-Imidazol-4-Yl]-Ethylamino}-4-Methyl-Pentanoic Acid