{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,15]],"date-time":"2026-08-15T20:07:08Z","timestamp":1786824428814,"version":"build-2736575974"},"reference-count":60,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2024,10,8]],"date-time":"2024-10-08T00:00:00Z","timestamp":1728345600000},"content-version":"vor","delay-in-days":281,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["International Journal of Dentistry"],"published-print":{"date-parts":[[2024,1]]},"abstract":"<jats:p>\n                    <jats:bold>Objectives:<\/jats:bold>\n                    Dental caries, a prevalent infectious disease affecting teeth, ranks highest among 328 diseases, according to a 2017 Lancet study. In demineralized human dentin, matrix metalloproteinase\u20103 (MMP3) functions as a proteoglycanase, contributing to the degradation of proteoglycan components. This process exposes collagen fibrils, thereby facilitating the demineralization of the dentin matrix. Inhibiting MMP3 shows potential for preventing dental caries.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Methods:<\/jats:bold>\n                    The binding affinity of 20 cinnamic acid derivatives, namely cynarin, chlorogenic acid, rosmarinic acid, cinnamyl caffeate, phenethyl caffeate, N\u2010p\u2010coumaroyltyramine, caffeic acid 3\u2010glucoside, caffeic acid phenethyl ester, roscovitine, benzyl caffeate, o\u2010coumaric acid, artepillin C, caffeic acid, methyl caffeate, 2\u2010methylcinnamic acid, ferulic acid, drupanin, p\u2010coumaric acid, cinnamic acid, and sinapinic acid, to the MMP3 catalytic cleft, was assessed utilizing AutoDock 4.0. Molecular dynamics simulation was then employed to analyze the stability of backbone atoms in free MMP3, MMP3\u2010positive control inhibitor, and MMP3 complexed with the top\u2010ranked cinnamic acid over a 100\u2009ns computer simulation.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Results:<\/jats:bold>\n                    Four cinnamic acids demonstrated\n                    <jats:italic>\u0394G<\/jats:italic>\n                    <jats:sub>binding<\/jats:sub>\n                    scores below \u221210\u2009kcal\/mol, with cynarin emerging as the most potent MMP3 inhibitor, featuring a\n                    <jats:italic>\u0394G<\/jats:italic>\n                    <jats:sub>binding<\/jats:sub>\n                    score and inhibition constant value of \u221215.57\u2009kcal\/mol and 3.83\u2009pM, respectively. The MMP3\u2013cynarin complex exhibited stability after a 50\u2009ns computer simulation, showing a root\u2010mean\u2010square deviation of 8\u2009\u00c5.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Conclusions:<\/jats:bold>\n                    The inhibition of MMP3 by cynarin, chlorogenic acid, rosmarinic acid, and cinnamyl caffeate holds promise as a potential preventive strategy for dental caries.\n                  <\/jats:p>","DOI":"10.1155\/2024\/9970824","type":"journal-article","created":{"date-parts":[[2024,10,8]],"date-time":"2024-10-08T12:26:59Z","timestamp":1728390419000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Targeting Matrix Metalloproteinase\u20103 for Dental Caries Prevention Using Herbal Isolates: MMP3 Inhibition by Cinnamic Acids"],"prefix":"10.1155","volume":"2024","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0571-3002","authenticated-orcid":false,"given":"Mahdieh","family":"Salman","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7546-545X","authenticated-orcid":false,"given":"Bahareh","family":"Asgartooran","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6546-8785","authenticated-orcid":false,"given":"Amir","family":"Taherkhani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,10,8]]},"reference":[{"key":"e_1_2_13_1_2","unstructured":"Collaborators G. Global Regional and National Incidence Prevalence and Years Lived with Disability for 354 Diseases and Injuries for 195 countries and Territories 1990-2017: A Systematic Analysis for the Global Burden of Disease Study 2017 2018."},{"key":"e_1_2_13_2_2","doi-asserted-by":"publisher","DOI":"10.1111\/adj.12662"},{"key":"e_1_2_13_3_2","doi-asserted-by":"publisher","DOI":"10.1007\/s40368-018-0365-5"},{"key":"e_1_2_13_4_2","doi-asserted-by":"publisher","DOI":"10.30476\/DENTJODS.2020.82596.1024"},{"key":"e_1_2_13_5_2","doi-asserted-by":"publisher","DOI":"10.1177\/154405910608500104"},{"key":"e_1_2_13_6_2","doi-asserted-by":"publisher","DOI":"10.4103\/jomfp.JOMFP_304_18"},{"key":"e_1_2_13_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.job.2021.09.002"},{"key":"e_1_2_13_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jobcr.2015.06.015"},{"key":"e_1_2_13_9_2","doi-asserted-by":"publisher","DOI":"10.1177\/0022034514562833"},{"key":"e_1_2_13_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.2400"},{"key":"e_1_2_13_11_2","doi-asserted-by":"publisher","DOI":"10.3390\/cells9051076"},{"key":"e_1_2_13_12_2","doi-asserted-by":"publisher","DOI":"10.1007\/s10753-018-00951-6"},{"key":"e_1_2_13_13_2","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23168929"},{"key":"e_1_2_13_14_2","first-page":"33","volume-title":"Matrix Metalloproteinases (MMPs): Classification, Molecular Mechanisms and Roles in Diseases","author":"Allam E.","year":"2015"},{"key":"e_1_2_13_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.biomaterials.2008.07.035"},{"key":"e_1_2_13_16_2","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0722.1998.tb02196.x"},{"key":"e_1_2_13_17_2","doi-asserted-by":"publisher","DOI":"10.1023\/A:1003945902473"},{"key":"e_1_2_13_18_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00784-019-02915-y"},{"key":"e_1_2_13_19_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jdent.2011.01.001"},{"key":"e_1_2_13_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.nbd.2018.12.007"},{"key":"e_1_2_13_21_2","doi-asserted-by":"publisher","DOI":"10.1002\/jbt.21715"},{"key":"e_1_2_13_22_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2019.102951"},{"key":"e_1_2_13_23_2","doi-asserted-by":"publisher","DOI":"10.5808\/gi.22077"},{"key":"e_1_2_13_24_2","doi-asserted-by":"publisher","DOI":"10.1002\/jbt.23215"},{"key":"e_1_2_13_25_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.lfs.2019.116819"},{"key":"e_1_2_13_26_2","doi-asserted-by":"publisher","DOI":"10.34172\/ajdr.2022.05"},{"key":"e_1_2_13_27_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3331"},{"key":"e_1_2_13_28_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm000477l"},{"key":"e_1_2_13_29_2","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-13-173"},{"key":"e_1_2_13_30_2","doi-asserted-by":"crossref","unstructured":"KhoshbinE. Rahmani-AbidarS. M. S. MoradiS. TaherkhaniA. andKarkehabadiH. Structure-Based Virtual Screening of Cinnamic Acid Analogs Against RIPK3: Implications for Anti-Inflammatory Drug Discovery 2023.","DOI":"10.34172\/ajmb.2446"},{"key":"e_1_2_13_31_2","first-page":"1010","article-title":"HyperChem: A Software Package for Computational Chemistry and Molecular Modeling","volume":"14","author":"Froimowitz M.","year":"1993","journal-title":"BioTechniques"},{"key":"e_1_2_13_32_2","doi-asserted-by":"publisher","DOI":"10.2174\/1570180817999200831094703"},{"key":"e_1_2_13_33_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_2_13_34_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2022.132476"},{"key":"e_1_2_13_35_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2022.108262"},{"key":"e_1_2_13_36_2","doi-asserted-by":"publisher","DOI":"10.1002\/slct.202201728"},{"key":"e_1_2_13_37_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.archoralbio.2017.06.020"},{"key":"e_1_2_13_38_2","doi-asserted-by":"publisher","DOI":"10.4149\/av_2021_308"},{"key":"e_1_2_13_39_2","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2019.00873"},{"key":"e_1_2_13_40_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2019.03.036"},{"key":"e_1_2_13_41_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.tetlet.2011.10.127"},{"key":"e_1_2_13_42_2","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2015.1018244"},{"key":"e_1_2_13_43_2","first-page":"2273","article-title":"Identification of Polyphenolic Compounds and Hepatoprotective Activity of Artichoke (Cynara scolymus L.) Edible Part Extracts in Rats","volume":"63","author":"Elmosallamy A.","year":"2020","journal-title":"Egyptian Journal of Chemistry"},{"key":"e_1_2_13_44_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2017.10.064"},{"key":"e_1_2_13_45_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejphar.2012.05.028"},{"key":"e_1_2_13_46_2","doi-asserted-by":"publisher","DOI":"10.3390\/app9153139"},{"key":"e_1_2_13_47_2","doi-asserted-by":"publisher","DOI":"10.4155\/fsoa-2017-0124"},{"key":"e_1_2_13_48_2","doi-asserted-by":"publisher","DOI":"10.1111\/jcmm.13322"},{"key":"e_1_2_13_49_2","doi-asserted-by":"publisher","DOI":"10.1186\/s12929-017-0381-5"},{"key":"e_1_2_13_50_2","doi-asserted-by":"publisher","DOI":"10.3892\/ijmm.2021.4900"},{"key":"e_1_2_13_51_2","doi-asserted-by":"publisher","DOI":"10.1128\/spectrum.01578-22"},{"key":"e_1_2_13_52_2","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00251-20"},{"key":"e_1_2_13_53_2","doi-asserted-by":"publisher","DOI":"10.1089\/scd.2020.0193"},{"key":"e_1_2_13_54_2","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-07007-z"},{"key":"e_1_2_13_55_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00203-021-02290-x"},{"key":"e_1_2_13_56_2","doi-asserted-by":"publisher","DOI":"10.1055\/s-0040-1718640"},{"key":"e_1_2_13_57_2","doi-asserted-by":"publisher","DOI":"10.3390\/cimb44110385"},{"key":"e_1_2_13_58_2","doi-asserted-by":"publisher","DOI":"10.3390\/cells10112911"},{"key":"e_1_2_13_59_2","doi-asserted-by":"publisher","DOI":"10.7717\/peerj.4872"},{"key":"e_1_2_13_60_2","doi-asserted-by":"publisher","DOI":"10.1007\/s11033-024-09289-9"}],"container-title":["International Journal of Dentistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1155\/2024\/9970824","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1155\/2024\/9970824","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1155\/2024\/9970824","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T20:46:19Z","timestamp":1785444379000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1155\/2024\/9970824"}},"subtitle":[],"editor":[{"given":"Gianrico","family":"Spagnuolo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2024,1]]},"references-count":60,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2024,1]]}},"alternative-id":["10.1155\/2024\/9970824"],"URL":"https:\/\/doi.org\/10.1155\/2024\/9970824","archive":["Portico"],"relation":{},"ISSN":["1687-8728","1687-8736"],"issn-type":[{"value":"1687-8728","type":"print"},{"value":"1687-8736","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1]]},"assertion":[{"value":"2024-02-07","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-09-20","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-10-08","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"9970824"}}