{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T03:56:23Z","timestamp":1782878183561,"version":"3.54.5"},"reference-count":59,"publisher":"Royal Society of Chemistry (RSC)","issue":"10","license":[{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"am","delay-in-days":596,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100007120","name":"King Mongkut's Institute of Technology Ladkrabang","doi-asserted-by":"publisher","award":["KDS 2021\/023"],"award-info":[{"award-number":["KDS 2021\/023"]}],"id":[{"id":"10.13039\/501100007120","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004704","name":"National Research Council of Thailand","doi-asserted-by":"publisher","award":["NRCT-N42A650386"],"award-info":[{"award-number":["NRCT-N42A650386"]}],"id":[{"id":"10.13039\/501100004704","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Med. Chem."],"abstract":"<jats:p>Cheminformatics-guided optimization of the antimalarial activity and physicochemical properties of 2,4-diaminopyrimidines.<\/jats:p>","DOI":"10.1039\/d5md00353a","type":"journal-article","created":{"date-parts":[[2025,8,20]],"date-time":"2025-08-20T14:26:39Z","timestamp":1755699999000},"page":"4796-4817","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Computationally guided optimization of the antimalarial activity and physicochemical properties of 2,4-diaminopyrimidines"],"prefix":"10.1039","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5072-1397","authenticated-orcid":false,"given":"Guntur","family":"Guntur","sequence":"first","affiliation":[{"name":"Department of Biomedical Engineering, School of Engineering, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Duangkamol","family":"Gleeson","sequence":"additional","affiliation":[{"name":"Department of Chemistry, School of Science, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mark","family":"Anderson","sequence":"additional","affiliation":[{"name":"Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicole","family":"Mutter","sequence":"additional","affiliation":[{"name":"Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lauren","family":"Webster","sequence":"additional","affiliation":[{"name":"Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kevin D.","family":"Read","sequence":"additional","affiliation":[{"name":"Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6998-7446","authenticated-orcid":false,"given":"M. Paul","family":"Gleeson","sequence":"additional","affiliation":[{"name":"Department of Biomedical Engineering, School of Engineering, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5MD00353A\/cit1\/1","volume-title":"World Malaria Report 2023","author":"WHO","year":"2023","unstructured":"WHO ,  World Malaria Report 2023 ,  Geneva ,  2023"},{"key":"D5MD00353A\/cit2\/1","doi-asserted-by":"crossref","first-page":"e540","DOI":"10.1016\/S1473-3099(24)00427-4","volume":"24","author":"Bj\u00f6rkman","year":"2024","journal-title":"Lancet Infect. Dis."},{"key":"D5MD00353A\/cit3\/1","doi-asserted-by":"crossref","first-page":"518","DOI":"10.1021\/acsinfecdis.0c00724","volume":"7","author":"Arendse","year":"2021","journal-title":"ACS Infect. Dis."},{"key":"D5MD00353A\/cit4\/1","doi-asserted-by":"crossref","first-page":"107059","DOI":"10.1016\/j.phrs.2024.107059","volume":"200","author":"Roskoski Jr.","year":"2024","journal-title":"Pharmacol. Res."},{"key":"D5MD00353A\/cit5\/1","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1038\/s41573-021-00252-y","volume":"20","author":"Attwood","year":"2021","journal-title":"Nat. Rev. Drug Discovery"},{"key":"D5MD00353A\/cit6\/1","doi-asserted-by":"crossref","first-page":"221","DOI":"10.32604\/or.2022.027549","volume":"30","author":"Nishal","year":"2022","journal-title":"Oncol. Res."},{"key":"D5MD00353A\/cit7\/1","doi-asserted-by":"crossref","first-page":"422","DOI":"10.1016\/j.tips.2015.04.005","volume":"36","author":"Wu","year":"2015","journal-title":"Trends Pharmacol. Sci."},{"key":"D5MD00353A\/cit8\/1","doi-asserted-by":"crossref","first-page":"377","DOI":"10.1016\/j.chom.2010.09.006","volume":"8","author":"Tewari","year":"2010","journal-title":"Cell Host Microbe"},{"key":"D5MD00353A\/cit9\/1","doi-asserted-by":"crossref","first-page":"720","DOI":"10.1016\/j.pt.2023.06.001","volume":"39","author":"Mogwera","year":"2023","journal-title":"Trends Parasitol."},{"key":"D5MD00353A\/cit10\/1","doi-asserted-by":"crossref","first-page":"518","DOI":"10.1021\/acsinfecdis.0c00724","volume":"7","author":"Arendse","year":"2021","journal-title":"ACS Infect. Dis."},{"key":"D5MD00353A\/cit11\/1","doi-asserted-by":"crossref","first-page":"e0242372","DOI":"10.1371\/journal.pone.0242372","volume":"15","author":"Kesely","year":"2020","journal-title":"PLoS One"},{"key":"D5MD00353A\/cit12\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3390\/molecules25245949","volume":"25","author":"Mustiere","year":"2020","journal-title":"Molecules"},{"key":"D5MD00353A\/cit13\/1","doi-asserted-by":"crossref","first-page":"774","DOI":"10.1073\/pnas.1715443115","volume":"115","author":"Bansal","year":"2018","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D5MD00353A\/cit14\/1","doi-asserted-by":"crossref","first-page":"963689719884888","DOI":"10.1177\/0963689719884888","volume":"29","author":"Ghartey-Kwansah","year":"2020","journal-title":"Cell Transplant."},{"key":"D5MD00353A\/cit15\/1","doi-asserted-by":"crossref","first-page":"e0149996","DOI":"10.1371\/journal.pone.0149996","volume":"11","author":"Crowther","year":"2016","journal-title":"PLoS One"},{"key":"D5MD00353A\/cit16\/1","doi-asserted-by":"crossref","first-page":"1004","DOI":"10.1021\/acsinfecdis.3c00025","volume":"9","author":"Bohmer","year":"2023","journal-title":"ACS Infect. Dis."},{"key":"D5MD00353A\/cit17\/1","doi-asserted-by":"crossref","first-page":"13172","DOI":"10.1021\/acs.jmedchem.2c00996","volume":"65","author":"Galal","year":"2022","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit18\/1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1038\/nature09107","volume":"465","author":"Gamo","year":"2010","journal-title":"Nature"},{"key":"D5MD00353A\/cit19\/1","doi-asserted-by":"crossref","first-page":"1774","DOI":"10.1021\/acsmedchemlett.3c00354","volume":"14","author":"Ong","year":"2023","journal-title":"ACS Med. Chem. Lett."},{"key":"D5MD00353A\/cit20\/1","doi-asserted-by":"crossref","first-page":"D368","DOI":"10.1093\/nar\/gkad1011","volume":"52","author":"Varadi","year":"2024","journal-title":"Nucleic Acids Res."},{"key":"D5MD00353A\/cit21\/1","doi-asserted-by":"crossref","first-page":"1587","DOI":"10.1039\/D2MD00218C","volume":"13","author":"Toviwek","year":"2022","journal-title":"RSC Med. Chem."},{"key":"D5MD00353A\/cit22\/1","doi-asserted-by":"crossref","first-page":"116348","DOI":"10.1016\/j.bmc.2021.116348","volume":"46","author":"Toviwek","year":"2021","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00353A\/cit23\/1","doi-asserted-by":"crossref","first-page":"896","DOI":"10.1016\/j.ejmech.2016.08.055","volume":"124","author":"Phuangsawai","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00353A\/cit24\/1","doi-asserted-by":"crossref","first-page":"698","DOI":"10.1021\/cb200508b","volume":"7","author":"Martin","year":"2012","journal-title":"ACS Chem. Biol."},{"key":"D5MD00353A\/cit25\/1","doi-asserted-by":"crossref","first-page":"817","DOI":"10.1021\/jm701122q","volume":"51","author":"Gleeson","year":"2008","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit26\/1","doi-asserted-by":"crossref","first-page":"5906","DOI":"10.1016\/j.bmc.2009.07.002","volume":"17","author":"Gleeson","year":"2009","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00353A\/cit27\/1","doi-asserted-by":"crossref","first-page":"8382","DOI":"10.1021\/acs.jmedchem.3c00206","volume":"66","author":"Valluri","year":"2023","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit28\/1","doi-asserted-by":"crossref","first-page":"1539","DOI":"10.1021\/jm101356p","volume":"54","author":"Ishikawa","year":"2011","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit29\/1","doi-asserted-by":"crossref","first-page":"116348","DOI":"10.1016\/j.bmc.2021.116348","volume":"46","author":"Toviwek","year":"2021","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00353A\/cit30\/1","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1021\/jm0608107","volume":"50","author":"Liao","year":"2007","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit31\/1","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/j.bmcl.2011.11.061","volume":"22","author":"Yu","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"D5MD00353A\/cit32\/1","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/j.ejmech.2014.02.018","volume":"76","author":"Tala","year":"2014","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00353A\/cit33\/1","doi-asserted-by":"crossref","first-page":"2975","DOI":"10.1016\/j.ejmech.2009.01.005","volume":"44","author":"Hernandez-Nunez","year":"2009","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00353A\/cit35\/1","doi-asserted-by":"crossref","first-page":"1615","DOI":"10.1016\/j.bmcl.2018.03.045","volume":"28","author":"Ding","year":"2018","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"D5MD00353A\/cit36\/1","doi-asserted-by":"crossref","first-page":"115043","DOI":"10.1016\/j.ejmech.2022.115043","volume":"249","author":"Ong","year":"2023","journal-title":"Eur. J. Med. Chem."},{"key":"D5MD00353A\/cit37\/1","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1021\/acsinfecdis.3c00138","volume":"9","author":"Ling","year":"2023","journal-title":"ACS Infect. Dis."},{"key":"D5MD00353A\/cit38\/1","doi-asserted-by":"crossref","first-page":"12459","DOI":"10.1021\/acs.jmedchem.4c01411","volume":"67","author":"Gilleran","year":"2024","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit39\/1","doi-asserted-by":"crossref","first-page":"421","DOI":"10.2174\/1568026053828411","volume":"5","author":"Davis","year":"2005","journal-title":"Curr. Top. Med. Chem."},{"key":"D5MD00353A\/cit40\/1","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1186\/1475-2875-9-51","volume":"9","author":"Milner","year":"2010","journal-title":"Malar. J."},{"key":"D5MD00353A\/cit41\/1","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1016\/j.vascn.2014.08.002","volume":"70","author":"Jin","year":"2014","journal-title":"J. Pharmacol. Toxicol. Methods"},{"key":"D5MD00353A\/cit42\/1","doi-asserted-by":"crossref","first-page":"10413","DOI":"10.1021\/acs.jmedchem.3c00582","volume":"66","author":"Thomas","year":"2023","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit43\/1","doi-asserted-by":"crossref","first-page":"8896","DOI":"10.1021\/acs.jmedchem.3c00509","volume":"66","author":"Cleghorn","year":"2023","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit44\/1","doi-asserted-by":"crossref","first-page":"1232","DOI":"10.1038\/s41467-017-01345-2","volume":"8","author":"Arang","year":"2017","journal-title":"Nat. Commun."},{"key":"D5MD00353A\/cit45\/1","doi-asserted-by":"crossref","first-page":"2607","DOI":"10.1098\/rstb.2012.0014","volume":"367","author":"Talevich","year":"2012","journal-title":"Philos. Trans. R. Soc., B"},{"key":"D5MD00353A\/cit46\/1","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.molbiopara.2016.05.006","volume":"208","author":"Carvalho","year":"2016","journal-title":"Mol. Biochem. Parasitol."},{"key":"D5MD00353A\/cit47\/1","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1038\/nature09099","volume":"465","author":"Guiguemde","year":"2010","journal-title":"Nature"},{"key":"D5MD00353A\/cit48\/1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1038\/nature09107","volume":"465","author":"Gamo","year":"2010","journal-title":"Nature"},{"key":"D5MD00353A\/cit49\/1","doi-asserted-by":"crossref","first-page":"e202200421","DOI":"10.1002\/cmdc.202200421","volume":"17","author":"Seanego","year":"2022","journal-title":"ChemMedChem"},{"key":"D5MD00353A\/cit50\/1","doi-asserted-by":"crossref","first-page":"446","DOI":"10.1186\/s12936-017-2085-4","volume":"16","author":"Hallyburton","year":"2017","journal-title":"Malar. J."},{"key":"D5MD00353A\/cit51\/1","doi-asserted-by":"crossref","first-page":"6101","DOI":"10.1021\/acs.jmedchem.6b00028","volume":"59","author":"Norcross","year":"2016","journal-title":"J. Med. Chem."},{"key":"D5MD00353A\/cit52\/1","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1038\/nature14451","volume":"522","author":"Baragana","year":"2015","journal-title":"Nature"},{"key":"D5MD00353A\/cit53\/1","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1042\/BJ20070797","volume":"408","author":"Bain","year":"2007","journal-title":"Biochem. J."},{"key":"D5MD00353A\/cit54\/1","doi-asserted-by":"crossref","first-page":"348","DOI":"10.1177\/1087057110396372","volume":"16","author":"Wenlock","year":"2011","journal-title":"J. Biomol. Screening"},{"key":"D5MD00353A\/cit55\/1","doi-asserted-by":"crossref","first-page":"117092","DOI":"10.1016\/j.bmc.2022.117092","volume":"76","author":"Somnarin","year":"2022","journal-title":"Bioorg. Med. Chem."},{"key":"D5MD00353A\/cit56\/1","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/j.jala.2010.10.002","volume":"16","author":"Wenlock","year":"2011","journal-title":"J. Lab. Autom."},{"key":"D5MD00353A\/cit57\/1","doi-asserted-by":"crossref","first-page":"609","DOI":"10.1002\/prot.10465","volume":"52","author":"Verdonk","year":"2003","journal-title":"Proteins"},{"key":"D5MD00353A\/cit59\/1","unstructured":"ChemAxon,  https:\/\/chemaxon.com\/products\/jchem-for-office"},{"key":"D5MD00353A\/cit60\/1","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1021\/ci500588j","volume":"55","author":"Sander","year":"2015","journal-title":"J. Chem. Inf. Model."},{"key":"D5MD00353A\/cit61\/1","unstructured":"S. Simca P14,  https:\/\/www.sartorius.com\/en\/products\/process-analytical-technology\/data-analytics-software"}],"container-title":["RSC Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/MD\/D5MD00353A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T03:06:44Z","timestamp":1782875204000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/md\/article\/16\/10\/4796-4817\/896728"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":59,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2025,10,15]]}},"URL":"https:\/\/doi.org\/10.1039\/d5md00353a","relation":{},"ISSN":["2632-8682"],"issn-type":[{"value":"2632-8682","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}