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DP4 probability analysis verified its absolute configuration. Compounds\n                    <jats:bold>1<\/jats:bold>\n                    ,\n                    <jats:bold>3<\/jats:bold>\n                    ,\n                    <jats:bold>4<\/jats:bold>\n                    ,\n                    <jats:bold>8<\/jats:bold>\n                    , and\n                    <jats:bold>10<\/jats:bold>\n                    inhibited alpha\u2010glucosidase with IC\n                    <jats:sub>50<\/jats:sub>\n                    values ranging from 21.7 to160.3 \u00b5M, surpassing the positive control, acarbose. Compound\n                    <jats:bold>10<\/jats:bold>\n                    , reduced NO generation, and entry\n                    <jats:bold>7<\/jats:bold>\n                    showed potent efficacy, comparable to diclofenac. Compound\n                    <jats:bold>1<\/jats:bold>\n                    was the most effective against MCF\u20107 cells (IC\n                    <jats:sub>50<\/jats:sub>\n                    = 18.69 \u00b5M), while compound\n                    <jats:bold>4<\/jats:bold>\n                    showed the strongest activity against HepG2 cells (IC\n                    <jats:sub>50<\/jats:sub>\n                    = 16.14 \u00b5M). Compound\n                    <jats:bold>8<\/jats:bold>\n                    docked for alpha\u2010glucosidase inhibition, 4J5T:pdb, compounds\n                    <jats:bold>7<\/jats:bold>\n                    and\n                    <jats:bold>8<\/jats:bold>\n                    anchored\n                    <jats:bold>to<\/jats:bold>\n                    4WCU:pdb for anti\u2010inflammatory activity, and compound\n                    <jats:bold>4<\/jats:bold>\n                    bonded to 1T8I:pdb for anticancer activity. The pose 89\/(\n                    <jats:bold>8)<\/jats:bold>\n                    is the most favorable conformation against 4J5T, with \u0394\n                    <jats:italic>G<\/jats:italic>\n                    <jats:sup>\u00b0<\/jats:sup>\n                    = \u22129.79\u00a0kcal\u00a0mol\n                    <jats:sup>\u2212<\/jats:sup>\n                    <jats:sup>1<\/jats:sup>\n                    ,\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>i<\/jats:sub>\n                    = 0.067 \u00b5M, consistent with its high in vitro activity. Compound\n                    <jats:bold>4\/<\/jats:bold>\n                    pose 885 exposed strong binding to 1T8I, with \u0394\n                    <jats:italic>G<\/jats:italic>\n                    <jats:sup>\u00b0<\/jats:sup>\n                    = \u22127.68\u00a0kcal\u00a0mol\n                    <jats:sup>\u2212<\/jats:sup>\n                    <jats:sup>1<\/jats:sup>\n                    ,\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>i<\/jats:sub>\n                    = 2.36 \u00b5M. Molecular dynamics (MD) simulations revealed that the complex of compound\n                    <jats:bold>4<\/jats:bold>\n                    and the 1T8I enzyme stabilized after 30\u00a0ns, with the ligand RMSD remaining below 2 \u00c5 and dominant interactions with Ala 499 (90% of the simulation time), confirming a reliable docking pose.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202503130","type":"journal-article","created":{"date-parts":[[2026,3,8]],"date-time":"2026-03-08T12:44:29Z","timestamp":1772973869000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Bioactive Compounds From\n                    <i>Coffea canephora<\/i>\n                    Husks: Alpha Glucosidase Inhibition, Anti\u2010Inflammatory Potential, Cytotoxicity, and In Silico Docking"],"prefix":"10.1002","volume":"23","author":[{"given":"Van\u2010Dung","family":"Le","sequence":"first","affiliation":[{"name":"Institute of Advanced 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