{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T09:14:54Z","timestamp":1763975694914,"version":"3.45.0"},"reference-count":31,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2025,11,3]],"date-time":"2025-11-03T00:00:00Z","timestamp":1762128000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,11,3]],"date-time":"2025-11-03T00:00:00Z","timestamp":1762128000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,11,3]],"date-time":"2025-11-03T00:00:00Z","timestamp":1762128000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100021171","name":"Basic and Applied Basic Research Foundation of Guangdong Province","doi-asserted-by":"publisher","award":["2023A1515110739"],"award-info":[{"award-number":["2023A1515110739"]}],"id":[{"id":"10.13039\/501100021171","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005150","name":"Chinese Academy of Medical Sciences","doi-asserted-by":"publisher","award":["2021-I2M-1-069"],"award-info":[{"award-number":["2021-I2M-1-069"]}],"id":[{"id":"10.13039\/501100005150","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005952","name":"Ministry of Human Resources and Social Security","doi-asserted-by":"publisher","award":["H20240802"],"award-info":[{"award-number":["H20240802"]}],"id":[{"id":"10.13039\/501100005952","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Pearl River Talent Program","award":["2021CX020227"],"award-info":[{"award-number":["2021CX020227"]}]},{"name":"Guangzhou National Laboratory","award":["GZNL2023A01008","GZNL2024A01005","GZNL2025C01002"],"award-info":[{"award-number":["GZNL2023A01008","GZNL2024A01005","GZNL2025C01002"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,11,24]]},"DOI":"10.1021\/acs.jcim.5c01426","type":"journal-article","created":{"date-parts":[[2025,11,3]],"date-time":"2025-11-03T19:40:55Z","timestamp":1762198855000},"page":"12179-12188","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of Novel MsbA Inhibitors with a Bivalent Molecular Generative Model"],"prefix":"10.1021","volume":"65","author":[{"given":"Haodi","family":"Qiu","sequence":"first","affiliation":[{"name":"Laboratory of Molecular Design and Drug Discovery, School of Science","place":["Nanjing, China"]},{"name":"China Pharmaceutical University","place":["Nanjing, China"]},{"name":"Division of Drug and Vaccine Research","place":["Guangzhou, China"]},{"name":"Guangzhou National Laboratory","place":["Guangzhou, China"]}]},{"given":"Lei","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica","place":["Beijing, China"]},{"name":"Chinese Academy of Medical Sciences and Peking Union Medical College","place":["Beijing, China"]}]},{"given":"Baiqing","family":"Li","sequence":"additional","affiliation":[{"name":"Division of Drug and Vaccine Research","place":["Guangzhou, China"]},{"name":"Guangzhou National Laboratory","place":["Guangzhou, China"]}]},{"given":"Song","family":"Wu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica","place":["Beijing, China"]},{"name":"Chinese Academy of Medical Sciences and Peking Union Medical College","place":["Beijing, China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2189-9356","authenticated-orcid":true,"given":"Yadong","family":"Chen","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Design and Drug Discovery, School of Science","place":["Nanjing, China"]},{"name":"China Pharmaceutical University","place":["Nanjing, China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1387-4634","authenticated-orcid":true,"given":"Ting","family":"Ran","sequence":"additional","affiliation":[{"name":"Division of Drug and Vaccine Research","place":["Guangzhou, China"]},{"name":"Guangzhou National Laboratory","place":["Guangzhou, China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9567-3763","authenticated-orcid":true,"given":"Jie","family":"Xia","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica","place":["Beijing, China"]},{"name":"Chinese Academy of Medical Sciences and Peking Union Medical College","place":["Beijing, China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8065-8333","authenticated-orcid":true,"given":"Hongming","family":"Chen","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences","place":["Guangzhou, China"]},{"name":"Guangzhou Medical University","place":["Guangzhou, China"]},{"name":"Division of Drug and Vaccine Research","place":["Guangzhou, China"]},{"name":"Guangzhou National Laboratory","place":["Guangzhou, China"]}]}],"member":"316","published-online":{"date-parts":[[2025,11,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41579-021-00649-x"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1128\/JB.181.16.4725-4733.1999"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41579-022-00820-y"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.273.20.12466"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1126\/science.1106592"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M702952200"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pbio.0050271"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0709388104"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1042\/BJ20081364"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2023.106932"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1804670115"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1126\/science.abi9009"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0083-5"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/s41564-024-01667-0"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.4c01277"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-024-00812-5"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-023-00530-2"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1109\/TCBB.2024.3457807"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1039\/D4SC06864E"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.2c06653"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b01120"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/D2DD00115B"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/D0SC03126G"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbad323"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.141230798"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/jm0603365"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1186\/s12860-019-0218-z"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-021-00563-7"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01426","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01426","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T09:11:19Z","timestamp":1763975479000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c01426"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11,3]]},"references-count":31,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2025,11,24]]}},"alternative-id":["10.1021\/acs.jcim.5c01426"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c01426","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,11,3]]}}}