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Future Journal of Pharmaceutical Sciences

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
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