{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:35:52Z","timestamp":1786977352069,"version":"build-2736575974"},"reference-count":60,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2024,11,9]],"date-time":"2024-11-09T00:00:00Z","timestamp":1731110400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"published-print":{"date-parts":[[2025,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    In this study, the binding behavior of \u03b2\u2010sitosterol with lysozyme (L\n                    <jats:sub>ZM<\/jats:sub>\n                    ) was elucidated by surface plasmon resonance (SPR), computational molecular docking and molecular dynamics simulation studies. Chicken egg white lysozyme (CEWL\n                    <jats:sub>ZM<\/jats:sub>\n                    ) served as a model protein. Tri\u2010N\u2010acetylchitotriose (NAG\n                    <jats:sub>3<\/jats:sub>\n                    ) was used in the redocking experiments to generate precise binding location of the protein. \u03b2\u2010sitosterol displayed a slightly better binding energy (\u22126.68\u00b10.04\u2005kcal\/mol) compared to NAG\n                    <jats:sub>3<\/jats:sub>\n                    . Further molecular dynamics simulations and MMPBSA analysis revealed that residues Glu35, Gln57\u2010Asn59, Trp62, Ile98, Ala107 and Trp108 contribute to the binding energy. Then, 2.5\u2005mg\/mL CEWL\n                    <jats:sub>ZM<\/jats:sub>\n                    , 1X PBS buffer (pH\u20057.4) as running and coupling buffers, 30\u2005\u03bcL\/min as flow rate were applied for SPR analysis. Serial \u03b2\u2010sitosterol injections (20\u2013150\u2005\u03bcM) were performed through SPR sensor surface. According to SPR binding study,\n                    <jats:italic>\n                      K\n                      <jats:sub>D<\/jats:sub>\n                    <\/jats:italic>\n                    value for \u03b2\u2010sitosterol\u2010CEWL\n                    <jats:sub>ZM<\/jats:sub>\n                    binding interaction was calculated as 71.34\u00b19.79\u2005\u03bcM. The results could provide essential knowledge for nutrition, pharmaceutical science, and oral biology.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202401470","type":"journal-article","created":{"date-parts":[[2024,10,7]],"date-time":"2024-10-07T13:44:48Z","timestamp":1728308688000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Elucidation of the Binding Interaction between \u03b2\u2010Sitosterol and Lysozyme using Molecular Docking, Molecular Dynamics and Surface Plasmon Resonance Analysis"],"prefix":"10.1002","volume":"22","author":[{"given":"Tuba Ku\u015fman","family":"Say\u011f\u0131","sequence":"first","affiliation":[{"name":"Medicinal and Aromatic Plants Program, Hamidiye Vocational School of Health Services University of Health Sciences Turkey  34668 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-4264-0708","authenticated-orcid":false,"given":"Evren Gazel","family":"P\u0131nar","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy University of Health Sciences Turkey  34668 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ilgaz","family":"Ta\u015ftekil","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Biotechnology, Faculty of Pharmacy University of Health Sciences Turkey  34668 \u0130stanbul T\u00fcrkiye"},{"name":"Department of Bioengineering, Institute of Pure and Applied Sciences Marmara University  34854 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pemra \u00d6zbek","family":"Sar\u0131ca","sequence":"additional","affiliation":[{"name":"Department of Bioengineering, Faculty of Engineering Marmara University  34854 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"G\u00fcla\u00e7t\u0131","family":"Top\u00e7u","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy Bezmi\u00e2lem Vak\u0131f University  34093 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Emir Alper","family":"T\u00fcrko\u011flu","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Biotechnology, Faculty of Pharmacy University of Health Sciences Turkey  34668 \u0130stanbul T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,11,9]]},"reference":[{"key":"e_1_2_9_1_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-73900-7_2"},{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.25135\/rnp.251.21.03.2003"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2020.110702"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.atherosclerosis.2005.10.026"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0002-8223(02)90388-3"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.intimp.2008.10.019"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp102730p"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/jps.21916"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1006512"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2018.09.017"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mattod.2020.05.022"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(05)80034-8"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(92)90548-X"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1107\/S1399004714001928"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1039\/c3cs60479a"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-18450-y"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.talanta.2020.120792"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.3390\/app10113897"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2021.115542"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1080\/10408398.2021.1958745"},{"key":"e_1_2_9_21_1","first-page":"125","volume":"20","author":"Liu Y.","year":"2020","journal-title":"Bosn. 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