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Table 1 Binding affinity of carotenoid and flavonoid compounds of Pandanus conoideus Lamk, reference flavonoids, and resemdivir against SARS-CoV-2 main protease (6YNQ)

From: Flavonoid compounds of buah merah (Pandanus conoideus Lamk) as a potent SARS-CoV-2 main protease inhibitor: in silico approach

Compound

Binding affinity

Carotenoids

5,6-diepicapsokarpoxanthin

 − 7.5

Capsorubin

 − 6.8

Capsanthin 5,6-epoxide

 − 7.8

Capsanthin 3,6-epoxide

 − 7.1

Capsanthin

 − 7.1

Cryptocapsin

 − 7.5

β-cryptoxanthin 5,6-epoxide

 − 7.7

Cryptoxanthin

 − 7.0

Flavonoids

4′,6,6′,8-tetrahydroxy-3-methoxy-flavon

 − 7.7

3,4′,5-trihydroxy-7,3′-dimethoxy flavon

 − 7.5

Taxifolin 3-O-α-arabinopyranose

 − 8.8

Quercetin 3-O-glucose

 − 9.3

Quercetin 3-methyl-ether

 − 7.6

Quercetin

 − 7.8

Taxifolin

 − 8.4

Quercetin 3′-glucoside

 − 9.7

Rutin

 − 8.4

Astragalin

 − 8.2

Remdesivir

 − 7.5

Trifolin

 − 7.8