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Table 2 The interaction between Mpro and chitooligosaccharides

From: Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease

 

Glide-gscore (kcal/mol)

H-bond

Salt-Bridge

Chitobiose

-9.713

Phe140, Leu141, Glu166

Glu166

Chitotriose

-11.681

Phe140, Leu141, Asn142,

Gly143, Glu166

Glu166

Chitotetraose

-9.836

Thr24, Thr26, Thr45,

Ser144, His164, Glu166

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Chitosan

-12.400

Thr24, Thr25, Thr26,

Leu141, His164, Glu166, Pro168

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