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. 2023 Apr 26;18:2141–2162. doi: 10.2147/IJN.S400195

Table 3.

The Docking Scores for the M. arboreus Metabolites with CA IX Using the Glide Tool

Compound Name Glide Score Interactions with Amino Acid Residues
Astragalin −6.214 TRP9, HIS68, THR200, THR201, Zinc1260
4-hydroxyphenyl acetic acid −3.661 HIS94, THR200, GOL1261, ZN1260
Caffeic acid −4.439 Zinc1260
Vernolic acid −4.995 THR200, Zinc1260