{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T21:39:14Z","timestamp":1782855554579,"version":"3.54.5"},"reference-count":51,"publisher":"Royal Society of Chemistry (RSC)","issue":"9","license":[{"start":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T00:00:00Z","timestamp":1782777600000},"content-version":"am","delay-in-days":545,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100003069","name":"Instituto Polit\u00e9cnico Nacional","doi-asserted-by":"publisher","award":["20231188"],"award-info":[{"award-number":["20231188"]}],"id":[{"id":"10.13039\/501100003069","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003069","name":"Instituto Polit\u00e9cnico Nacional","doi-asserted-by":"publisher","award":["20243994"],"award-info":[{"award-number":["20243994"]}],"id":[{"id":"10.13039\/501100003069","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Med. Chem."],"abstract":"<jats:p>Peptidyl arginine deiminase 4 (PAD4) catalyzes both normal and abnormal citrullination of interacting protein partners, affecting gene regulation and being associated with diseases such as Alzheimer's, cancer, and rheumatoid arthritis (RA).<\/jats:p>","DOI":"10.1039\/d5md00395d","type":"journal-article","created":{"date-parts":[[2025,6,30]],"date-time":"2025-06-30T12:27:51Z","timestamp":1751286471000},"page":"4405-4414","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Computer-aided repositioning and functional\n                    <i>in vitro<\/i>\n                    assessment of novel PAD4 inhibitors"],"prefix":"10.1039","volume":"16","author":[{"given":"Sof\u00eda","family":"Ruiz-Hern\u00e1ndez","sequence":"first","affiliation":[{"name":"Doctorado en Ciencias Biom\u00e9dicas B\u00e1sicas, Universidad Aut\u00f3noma de San Luis, San Luis Potos\u00ed, S.L.P, Mexico"},{"name":"Universidad Aut\u00f3noma de Zacatecas, Zacatecas, Zac, Mexico"},{"name":"Unidad de Investigaci\u00f3n Biom\u00e9dica de Zacatecas, Instituto Mexicano del Seguro Social, Zacatecas, Zac, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"F\u00e1tima de Lourdes","family":"Ochoa-Gonz\u00e1lez","sequence":"additional","affiliation":[{"name":"Universidad Aut\u00f3noma de Zacatecas, Zacatecas, Zac, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julio E.","family":"Casta\u00f1eda-Delgado","sequence":"additional","affiliation":[{"name":"Investigador por M\u00e9xico, SECIHTI, Secretar\u00eda de Ciencia, Humanidades, Tecnolog\u00eda e Innovaci\u00f3n, Mexico"},{"name":"Unidad de Investigaci\u00f3n Biom\u00e9dica de Zacatecas, Instituto Mexicano del Seguro Social, Zacatecas, Zac, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Othir Gidalti","family":"Galicia-Cruz","sequence":"additional","affiliation":[{"name":"Departamento de Farmacolog\u00eda, Facultad de Medicina, Universidad Aut\u00f3noma de San Luis, San Luis Potos\u00ed, S.L.P, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ricardo","family":"Castillo-Vel\u00e1zquez","sequence":"additional","affiliation":[{"name":"Unidad de Investigaci\u00f3n Biom\u00e9dica de Zacatecas, Instituto Mexicano del Seguro Social, Zacatecas, Zac, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mauricio","family":"Comas-Garc\u00eda","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n en Ciencias de la Salud y Biomedicina, Universidad Aut\u00f3noma de San Luis, San Luis Potos\u00ed, S.L.P, Mexico"},{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis, San Luis Potos\u00ed, S.L.P, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gildardo","family":"Rivera","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Reynosa 88710, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7112-3233","authenticated-orcid":false,"given":"Edgar E.","family":"Lara-Ram\u00edrez","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Reynosa 88710, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"issue":"4","key":"D5MD00395D\/cit1\/1","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1080\/14728222.2017.1294160","volume":"21","author":"Koushik","year":"2017","journal-title":"Expert Opin. Ther. Targets"},{"issue":"20","key":"D5MD00395D\/cit2\/1","first-page":"1379","volume":"481","author":"Thirugnanasambandham","year":"2024","journal-title":"Biochem. J."},{"issue":"2","key":"D5MD00395D\/cit3\/1","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1007\/s00018-022-04126-3","volume":"79","author":"Ciesielski","year":"2022","journal-title":"Cell. Mol. Life Sci."},{"issue":"5","key":"D5MD00395D\/cit4\/1","first-page":"616","volume":"12","author":"Jones","year":"2009","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"D5MD00395D\/cit5\/1","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.3389\/fimmu.2017.01200","volume":"8","author":"Zhou","year":"2017","journal-title":"Front. Immunol."},{"issue":"4","key":"D5MD00395D\/cit6\/1","doi-asserted-by":"crossref","first-page":"1090","DOI":"10.1016\/j.celrep.2019.03.108","volume":"27","author":"Falcao","year":"2019","journal-title":"Cell Rep."},{"issue":"7","key":"D5MD00395D\/cit7\/1","doi-asserted-by":"crossref","first-page":"700","DOI":"10.2174\/1389450116666150202160954","volume":"16","author":"Witalison","year":"2015","journal-title":"Curr. Drug Targets"},{"issue":"51","key":"D5MD00395D\/cit8\/1","doi-asserted-by":"crossref","first-page":"49562","DOI":"10.1074\/jbc.M208795200","volume":"277","author":"Nakashima","year":"2002","journal-title":"J. Biol. Chem."},{"issue":"2","key":"D5MD00395D\/cit9\/1","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1083\/jcb.200806072","volume":"184","author":"Wang","year":"2009","journal-title":"J. Cell Biol."},{"issue":"7","key":"D5MD00395D\/cit10\/1","doi-asserted-by":"crossref","first-page":"1607","DOI":"10.1111\/jth.15313","volume":"19","author":"Liu","year":"2021","journal-title":"J. Thromb. Haemostasis"},{"issue":"5663","key":"D5MD00395D\/cit11\/1","doi-asserted-by":"crossref","first-page":"1532","DOI":"10.1126\/science.1092385","volume":"303","author":"Brinkmann","year":"2004","journal-title":"Science"},{"issue":"10","key":"D5MD00395D\/cit12\/1","first-page":"1178","volume":"85","author":"Vorobjeva","year":"2020","journal-title":"Biochemistry"},{"issue":"10","key":"D5MD00395D\/cit13\/1","doi-asserted-by":"crossref","first-page":"593","DOI":"10.1038\/nrrheum.2014.80","volume":"10","author":"Wright","year":"2014","journal-title":"Nat. Rev. Rheumatol."},{"key":"D5MD00395D\/cit14\/1","doi-asserted-by":"crossref","first-page":"18001","DOI":"10.1038\/nrdp.2018.1","volume":"4","author":"Smolen","year":"2018","journal-title":"Nat Rev Dis Prim."},{"issue":"11","key":"D5MD00395D\/cit15\/1","doi-asserted-by":"crossref","first-page":"801","DOI":"10.1016\/j.autrev.2012.02.009","volume":"11","author":"Auger","year":"2012","journal-title":"Autoimmun. Rev."},{"issue":"10055","key":"D5MD00395D\/cit16\/1","doi-asserted-by":"crossref","first-page":"2023","DOI":"10.1016\/S0140-6736(16)30173-8","volume":"388","author":"Smolen","year":"2016","journal-title":"Lancet"},{"issue":"7","key":"D5MD00395D\/cit17\/1","doi-asserted-by":"crossref","first-page":"4396","DOI":"10.4049\/jimmunol.1001620","volume":"186","author":"Willis","year":"2011","journal-title":"J. Immunol."},{"issue":"3","key":"D5MD00395D\/cit18\/1","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1016\/j.arcmed.2022.02.003","volume":"53","author":"Ruiz-Hern\u00e1ndez","year":"2022","journal-title":"Arch. Med. Res."},{"issue":"1","key":"D5MD00395D\/cit19\/1","doi-asserted-by":"crossref","first-page":"3189","DOI":"10.1038\/s41598-023-30246-2","volume":"13","author":"Gajendran","year":"2023","journal-title":"Sci. Rep."},{"issue":"3","key":"D5MD00395D\/cit20\/1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1038\/nchembio.1735","volume":"11","author":"Lewis","year":"2015","journal-title":"Nat. Chem. Biol."},{"issue":"19","key":"D5MD00395D\/cit21\/1","doi-asserted-by":"crossref","first-page":"3561","DOI":"10.1158\/0008-5472.CAN-21-4045","volume":"82","author":"Deng","year":"2022","journal-title":"Cancer Res."},{"issue":"1","key":"D5MD00395D\/cit22\/1","doi-asserted-by":"crossref","first-page":"4579","DOI":"10.1038\/s41467-025-59919-4","volume":"16","author":"Dakin","year":"2025","journal-title":"Nat. Commun."},{"issue":"9","key":"D5MD00395D\/cit23\/1","doi-asserted-by":"crossref","first-page":"2174","DOI":"10.3390\/ijms20092174","volume":"20","author":"Aliko","year":"2019","journal-title":"Int. J. Mol. Sci."},{"issue":"1","key":"D5MD00395D\/cit24\/1","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1021\/cb200258q","volume":"7","author":"Jones","year":"2012","journal-title":"ACS Chem. Biol."},{"issue":"1","key":"D5MD00395D\/cit25\/1","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1186\/s13321-019-0362-7","volume":"11","author":"Bell","year":"2019","journal-title":"J. Cheminf."},{"issue":"11","key":"D5MD00395D\/cit26\/1","doi-asserted-by":"crossref","first-page":"2324","DOI":"10.1021\/acs.jcim.5b00559","volume":"55","author":"Sterling","year":"2015","journal-title":"J. Chem. Inf. Model."},{"issue":"42","key":"D5MD00395D\/cit27\/1","doi-asserted-by":"crossref","first-page":"10750","DOI":"10.1073\/pnas.1810137115","volume":"115","author":"Janes","year":"2018","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"2","key":"D5MD00395D\/cit28\/1","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"issue":"1","key":"D5MD00395D\/cit29\/1","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1093\/bioinformatics\/btp623","volume":"26","author":"Bouvier","year":"2010","journal-title":"Bioinformatics"},{"issue":"1","key":"D5MD00395D\/cit30\/1","first-page":"5068","volume":"1","author":"Lemkul","year":"2018","journal-title":"Science"},{"issue":"8","key":"D5MD00395D\/cit31\/1","doi-asserted-by":"crossref","first-page":"535","DOI":"10.2165\/11532990-000000000-00000","volume":"49","author":"Pietrzik","year":"2010","journal-title":"Clin. Pharmacokinet."},{"issue":"2","key":"D5MD00395D\/cit32\/1","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1111\/j.1365-2125.1987.tb03020.x","volume":"23","author":"White","year":"1987","journal-title":"Br. J. Clin. Pharmacol."},{"key":"D5MD00395D\/cit33\/1","doi-asserted-by":"crossref","first-page":"244","DOI":"10.3389\/fimmu.2019.00244","volume":"10","author":"Nagar","year":"2019","journal-title":"Front. Immunol."},{"issue":"4","key":"D5MD00395D\/cit34\/1","first-page":"962","volume":"7","author":"Butler","year":"2001","journal-title":"Clin. Cancer Res."},{"issue":"19","key":"D5MD00395D\/cit35\/1","doi-asserted-by":"crossref","first-page":"11455","DOI":"10.3390\/ijms231911455","volume":"23","author":"Parvathaneni","year":"2022","journal-title":"Int. J. Mol. Sci."},{"issue":"11","key":"D5MD00395D\/cit36\/1","doi-asserted-by":"crossref","first-page":"2168","DOI":"10.1021\/acs.chemrestox.2c00258","volume":"35","author":"Kandel","year":"2022","journal-title":"Chem. Res. Toxicol."},{"issue":"1\u20132","key":"D5MD00395D\/cit37\/1","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/0022-1759(86)90239-5","volume":"94","author":"Zarcone","year":"1986","journal-title":"J. Immunol. Methods"},{"key":"D5MD00395D\/cit38\/1","doi-asserted-by":"crossref","first-page":"14411","DOI":"10.1002\/cpim.16","volume":"115","author":"Carmona-Rivera","year":"2016","journal-title":"Curr. Protoc. Immunol."},{"issue":"7","key":"D5MD00395D\/cit39\/1","doi-asserted-by":"crossref","first-page":"676","DOI":"10.1038\/nmeth.2019","volume":"9","author":"Schindelin","year":"2012","journal-title":"Nat. Methods"},{"issue":"9","key":"D5MD00395D\/cit40\/1","doi-asserted-by":"crossref","first-page":"877","DOI":"10.1159\/000515201","volume":"182","author":"de Lourdes Ochoa-Gonzalez","year":"2021","journal-title":"Int. Arch. Allergy Immunol."},{"issue":"2","key":"D5MD00395D\/cit41\/1","doi-asserted-by":"crossref","first-page":"739","DOI":"10.1016\/j.bmc.2007.10.021","volume":"16","author":"Knuckley","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00395D\/cit42\/1","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1002\/1529-0131(195910)2:5<403::AID-ART1780020505>3.0.CO;2-I","volume":"2","author":"Bepler","year":"1959","journal-title":"Arthritis Rheum."},{"issue":"7108","key":"D5MD00395D\/cit43\/1","doi-asserted-by":"crossref","first-page":"886","DOI":"10.1016\/S0140-6736(59)90808-6","volume":"2","author":"Kersley","year":"1959","journal-title":"Lancet"},{"issue":"8","key":"D5MD00395D\/cit44\/1","doi-asserted-by":"crossref","first-page":"1124","DOI":"10.1128\/AAC.32.8.1124","volume":"32","author":"Labro","year":"1988","journal-title":"Antimicrob. Agents Chemother."},{"issue":"5","key":"D5MD00395D\/cit45\/1","doi-asserted-by":"crossref","first-page":"824","DOI":"10.1128\/AAC.35.5.824","volume":"35","author":"Labro","year":"1991","journal-title":"Antimicrob. Agents Chemother."},{"key":"D5MD00395D\/cit46\/1","doi-asserted-by":"crossref","first-page":"373","DOI":"10.3389\/fcimb.2017.00373","volume":"7","author":"Nguyen","year":"2017","journal-title":"Front. Cell. Infect. Microbiol."},{"issue":"2","key":"D5MD00395D\/cit47\/1","doi-asserted-by":"crossref","first-page":"231","DOI":"10.1083\/jcb.200606027","volume":"176","author":"Fuchs","year":"2007","journal-title":"J. Cell Biol."},{"issue":"1","key":"D5MD00395D\/cit48\/1","doi-asserted-by":"crossref","first-page":"15228","DOI":"10.1038\/s41598-018-33385-z","volume":"8","author":"Zhou","year":"2018","journal-title":"Sci. Rep."},{"issue":"3","key":"D5MD00395D\/cit49\/1","doi-asserted-by":"crossref","first-page":"673","DOI":"10.1007\/s11010-021-04315-x","volume":"477","author":"Chamardani","year":"2022","journal-title":"Mol. Cell. Biochem."},{"issue":"17","key":"D5MD00395D\/cit50\/1","doi-asserted-by":"crossref","first-page":"1235","DOI":"10.2217\/pgs-2019-0121","volume":"20","author":"Jekic","year":"2019","journal-title":"Pharmacogenomics"},{"key":"D5MD00395D\/cit51\/1","doi-asserted-by":"crossref","first-page":"895343","DOI":"10.1155\/2012\/895343","volume":"2012","author":"Mohanan","year":"2012","journal-title":"Biochem. Res. Int."}],"container-title":["RSC Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/MD\/D5MD00395D","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T20:33:21Z","timestamp":1782851601000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/md\/article\/16\/9\/4405-4414\/896743"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":51,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2025,9,17]]}},"URL":"https:\/\/doi.org\/10.1039\/d5md00395d","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D5MD00395D\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5MD00395D\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5MD00395D\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5MD00395D\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5MD00395D\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5MD00395D\/v2\/decision1","asserted-by":"object"}]},"ISSN":["2632-8682"],"issn-type":[{"value":"2632-8682","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}