{"response":{"status":"ok","message_type":"publication"},"id":1930,"citation":"Nan et al., 2020, Molecules","doi":"10.3390/molecules25102313","url":"https://api.seqco.de/v1/publications/1930.json","link_ext":"https://doi.org/10.3390/molecules25102313","title":"Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5′-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic","journal":"Molecules","journal_loc":"25 (10)","journal_date":"2020-05-14","pub_type":"journal-article","abstract":"\u003cjats:p\u003eCitrus huanglongbing (HLB) is a destructive disease that causes significant damage to many citrus producing areas worldwide. To date, no strategy against this disease has been established. Inosine 5′-monophosphate dehydrogenase (IMPDH) plays crucial roles in the de novo synthesis of guanine nucleotides. This enzyme is used as a potential target to treat bacterial infection. In this study, the crystal structure of a deletion mutant of CLas IMPDHΔ98-201 in the apo form was determined. Eight known bioactive compounds were used as ligands for molecular docking. The results showed that bronopol and disulfiram bound to CLas IMPDHΔ98-201 with high affinity. These compounds were tested for their inhibition against CLas IMPDHΔ98-201 activity. Bronopol and disulfiram showed high inhibition at nanomolar concentrations, and bronopol was found to be the most potent molecule (Ki = 234 nM). The Ki value of disulfiram was 616 nM. These results suggest that bronopol and disulfiram can be considered potential candidate agents for the development of CLas inhibitors.\u003c/jats:p\u003e","long_citation_html":"Nan et al. (2020). Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5′-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic.\n\u003ci\u003eMolecules\u003c/i\u003e.\n\u003ca href=\"https://doi.org/10.3390/molecules25102313\" target=\"_blank\"\u003eDOI: 10.3390/molecules25102313\u003c/a\u003e\n","created_at":"2020-05-24T06:30:54.524Z","updated_at":"2025-11-06T13:47:13.302Z","authors":[{"id":7437,"given":"Jing","family":"Nan","created_at":"2020-05-24T06:30:54.802Z","updated_at":"2020-05-24T06:30:54.802Z","url":"https://api.seqco.de/v1/authors/7437.json"},{"id":7438,"given":"Shaoran","family":"Zhang","created_at":"2020-05-24T06:30:55.045Z","updated_at":"2020-05-24T06:30:55.045Z","url":"https://api.seqco.de/v1/authors/7438.json"},{"id":7439,"given":"Ping","family":"Zhan","created_at":"2020-05-24T06:30:55.252Z","updated_at":"2020-05-24T06:30:55.252Z","url":"https://api.seqco.de/v1/authors/7439.json"},{"id":3184,"given":"Ling","family":"Jiang","created_at":"2019-04-15T18:47:45.691Z","updated_at":"2019-04-15T18:47:45.691Z","url":"https://api.seqco.de/v1/authors/3184.json"}],"names":[{"id":1,"name":"Liberibacter asiaticus","url":"https://api.seqco.de/v1/names/1.json","uri":"https://seqco.de/i:1"}],"subjects":[{"id":71,"name":"Analytical Chemistry","url":"https://api.seqco.de/v1/subjects/71.json"},{"id":100,"name":"Chemistry (miscellaneous)","url":"https://api.seqco.de/v1/subjects/100.json"},{"id":40,"name":"Drug Discovery","url":"https://api.seqco.de/v1/subjects/40.json"},{"id":33,"name":"Molecular Medicine","url":"https://api.seqco.de/v1/subjects/33.json"},{"id":39,"name":"Organic Chemistry","url":"https://api.seqco.de/v1/subjects/39.json"},{"id":47,"name":"Pharmaceutical Science","url":"https://api.seqco.de/v1/subjects/47.json"},{"id":66,"name":"Physical and Theoretical Chemistry","url":"https://api.seqco.de/v1/subjects/66.json"}]}