{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,30]],"date-time":"2025-12-30T09:23:45Z","timestamp":1767086625834,"version":"3.48.0"},"reference-count":50,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2025,12,4]],"date-time":"2025-12-04T00:00:00Z","timestamp":1764806400000},"content-version":"vor","delay-in-days":3,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100007161","name":"Secretar\u00eda de Investigaci\u00f3n y Posgrado, Instituto Polit\u00e9cnico Nacional","doi-asserted-by":"publisher","award":["20240460"],"award-info":[{"award-number":["20240460"]}],"id":[{"id":"10.13039\/501100007161","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Coronavirus Disease\u20102019 (COVID\u201019) caused by SARS\u2010CoV\u20102 remains a serious health concern worldwide. Inhibitors of the protein\u2013protein interaction (iPPI) between the SARS\u2010CoV\u20102 spike protein (S) and human Angiotensin\u2010Converting Enzyme\u20102 (ACE2) are promising as potential antiviral agents. This study aimed to identify and evaluate novel compounds as inhibitors of the S receptor\u2010binding domain (RBD) and ACE2 interaction through Eugenol\u2010 and Structure\u2010Based virtual screening approaches. The hit compounds were corroborated as protein\u2013protein interaction inhibitors using an ELISA\u2010based enzyme assay. Molecular docking and molecular dynamics (MD) studies of the selected compounds showed that they maintained a molecular interaction and stability (RMSD fluctuations less than 4\u2009\u00c5) with essential residues of the S protein. The best compound,\n                    <jats:bold>Eu\u20101<\/jats:bold>\n                    (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200916\u2009\u03bcM), prevented the interaction between the S protein and ACE2 receptor efficiently with an 83.7% inhibition at 50\u2009\u03bcM. In addition,\n                    <jats:bold>Eu\u20101<\/jats:bold>\n                    had an adequate value of cytotoxicity (CC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009&gt;\u2009200\u2009\u03bcM). Therefore,\n                    <jats:bold>Eu\u20101<\/jats:bold>\n                    is a candidate compound for further SARS\u2010CoV\u20102 preclinical experiments.\n                  <\/jats:p>","DOI":"10.1111\/cbdd.70212","type":"journal-article","created":{"date-parts":[[2025,12,4]],"date-time":"2025-12-04T17:55:17Z","timestamp":1764870917000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["In Silico and In\u00a0Vitro Identification of New Eugenol Derivatives as Inhibitors of the Spike\n                    <scp>SARS<\/scp>\n                    \u2010\n                    <scp>CoV<\/scp>\n                    \u20102 Protein Interaction With the\n                    <scp>ACE2<\/scp>\n                    Host 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