{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,4]],"date-time":"2026-02-04T09:40:31Z","timestamp":1770198031404,"version":"3.49.0"},"reference-count":42,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2026,1,20]],"date-time":"2026-01-20T00:00:00Z","timestamp":1768867200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004586","name":"Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["E-26.201.168\/2022"],"award-info":[{"award-number":["E-26.201.168\/2022"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["E-26\/204.121\/2024"],"award-info":[{"award-number":["E-26\/204.121\/2024"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Omega"],"published-print":{"date-parts":[[2026,2,3]]},"DOI":"10.1021\/acsomega.5c08971","type":"journal-article","created":{"date-parts":[[2026,1,20]],"date-time":"2026-01-20T19:05:16Z","timestamp":1768935916000},"page":"5498-5507","source":"Crossref","is-referenced-by-count":0,"title":["Hit-Identification to Novel Antileishmanial Agents from a \u03b2-Pinene Scaffold: from Synthesis to\n                    <i>In Vitro<\/i>\n                    Evaluation and\n                    <i>In Silico<\/i>\n                    SAR\/ADMET Profiling"],"prefix":"10.1021","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7446-3273","authenticated-orcid":true,"given":"Gustavo dos S.","family":"Martins","sequence":"first","affiliation":[{"name":"Laboratory of Natural Products and Biological Assays (LaProNEB), Department of Natural Products and Food, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]},{"name":"Laboratory of Organic Synthesis, Instituto de Pesquisa de Produtos Naturais","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4675-8488","authenticated-orcid":true,"given":"Bruno","family":"M da S Santos","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Synthesis, Instituto de Pesquisa de Produtos Naturais","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yago S. S.","family":"Emiliano","sequence":"additional","affiliation":[{"name":"Laboratory of Trypanosomatid Biochemistry","place":["Rio de Janeiro, Brazil"]},{"name":"Instituto Oswaldo Cruz, FIOCRUZ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jo\u00e3o Pedro A.","family":"Santos","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Modelling QSAR, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"G\u00e9rzia M.","family":"Machado","sequence":"additional","affiliation":[{"name":"Laboratory of Trypanosomatid Biochemistry","place":["Rio de Janeiro, Brazil"]},{"name":"Instituto Oswaldo Cruz, FIOCRUZ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mariana S.","family":"de Carvalho","sequence":"additional","affiliation":[{"name":"Laboratory of Trypanosomatid Biochemistry","place":["Rio de Janeiro, Brazil"]},{"name":"Instituto Oswaldo Cruz, FIOCRUZ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kamila Marques","family":"Sette","sequence":"additional","affiliation":[{"name":"Laboratory of Investigation of Bioactive Substances, Department of Natural Products and Food, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Igor de A.","family":"Rodrigues","sequence":"additional","affiliation":[{"name":"Laboratory of Investigation of Bioactive Substances, Department of Natural Products and Food, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alessandra M.","family":"T de Souza","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Modelling QSAR, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2240-4519","authenticated-orcid":true,"given":"Eduardo Caio","family":"Torres-Santos","sequence":"additional","affiliation":[{"name":"Laboratory of Trypanosomatid Biochemistry","place":["Rio de Janeiro, Brazil"]},{"name":"Instituto Oswaldo Cruz, FIOCRUZ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4145-2153","authenticated-orcid":true,"given":"Fernanda","family":"G Finelli","sequence":"additional","affiliation":[{"name":"Laboratory of Organic Synthesis, Instituto de Pesquisa de Produtos Naturais","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ivana Correa Ramos","family":"Leal","sequence":"additional","affiliation":[{"name":"Laboratory of Natural Products and Biological Assays (LaProNEB), Department of Natural Products and Food, Faculty of Pharmacy","place":["Rio de Janeiro, Brazil"]},{"name":"Federal University of Rio de Janeiro, UFRJ","place":["Rio de Janeiro, Brazil"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2026,1,20]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.3390\/microorganisms11122845"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/S1473-3099(07)70209-8"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2024.116935"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pntd.0012735"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.3390\/microorganisms9122500"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.mi.46.100192.003403"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbagen.2008.03.006"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jm900185q"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2016.1250755"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1007\/s00726-019-02731-4"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1007\/s00726-019-02731-4"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acsbiomedchemau.5c00069"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24132471"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.3390\/biom12091271"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2022.106117"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.202400743"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s00044-023-03162-3"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-015-1656-9"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1039\/D1GC01734A"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.3390\/biom9110738"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2018.12.010"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2017.04.024"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.32604\/jrm.2023.026333"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1007\/s10600-006-0072-z"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.intimp.2023.110750"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.3390\/microorganisms12122641"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.3390\/ijms222413613"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1007\/s10529-022-03265-8"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.5194\/acp-20-4241-2020"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jo972026n"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1134\/S1070428008010016"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1002\/9783527621286.ch5","volume-title":"Molecular Drug Properties","author":"Ertl P.","year":"2007"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.2174\/0109298673323271241002060614"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1093\/jac\/49.suppl_1.37"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1017\/S003118201300142X"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1590\/S1516-93322007000100015"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2019.112366"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00258"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(96)00423-1"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.3390\/tropicalmed9090218"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1128\/CMR.19.1.111-126.2006"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1517\/17460441003605098"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c08971","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c08971","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,2,3]],"date-time":"2026-02-03T10:11:50Z","timestamp":1770113510000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.5c08971"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,20]]},"references-count":42,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2026,2,3]]}},"alternative-id":["10.1021\/acsomega.5c08971"],"URL":"https:\/\/doi.org\/10.1021\/acsomega.5c08971","relation":{},"ISSN":["2470-1343","2470-1343"],"issn-type":[{"value":"2470-1343","type":"print"},{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,20]]}}}