{"id":"W4391686326","doi":"10.1021/acs.jmedchem.3c01643","title":"Azetidines Kill Multidrug-Resistant <i>Mycobacterium tuberculosis</i> without Detectable Resistance by Blocking Mycolate Assembly","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Tuberculosis Research and Epidemiology","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"National Key Research and Development Program of China; Engineering and Physical Sciences Research Council; EPSRC Centre for Doctoral Training in Additive Manufacturing; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences; National Centre for the Replacement Refinement and Reduction of Animals in Research; Medical Research Council; Chinese Academy of Sciences; Public Health England; National Centre for the Replacement, Refinement and Reduction of Animals in Research","keywords":"Mycobacterium tuberculosis; Tuberculosis; Mode of action; Multiple drug resistance; Microbiology; Drug resistance; Antibiotics; Drug; Mycolic acid; Chemistry; Mycobacterium; Biology; Pharmacology; Medicine; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001550706,0.000331934,0.0003125023,0.0002417022,0.0001456342,0.000347669,0.0002775751,0.0004233701,0.001711325],"category_scores_gemma":[0.0001878447,0.0001912923,0.0002241651,0.0001837239,0.0001790319,0.000207666,0.0001988499,0.0004077249,0.0006980524],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000204899,"about_ca_system_score_gemma":0.0001180581,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003788807,"about_ca_topic_score_gemma":0.0005791881,"domain_scores_codex":[0.9998674,0.00002705166,0.000009609115,0.00002456944,0.00004863038,0.00002259259],"domain_scores_gemma":[0.9999341,0.00001490979,0.00001920847,0.000008747271,0.00001341933,0.000009572894],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00009091366,0.00001177247,0.0001350638,0.00004865492,0.000004470806,0.00002326461,0.000006671896,0.00004590521,0.9969376,0.0000419344,0.00008554984,0.002568164],"study_design_scores_gemma":[0.00001342372,0.0003935782,0.002366443,0.000007190003,0.00001289574,0.0002287915,0.00001187406,0.0007247799,0.9921786,0.00003545266,0.004022136,0.000004875148],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.956526,0.015686,0.01463723,0.0003616542,0.0001266101,0.0001289542,0.001623584,0.0006857517,0.01022419],"genre_scores_gemma":[0.9723822,0.007249591,0.01363893,0.0002414278,0.0000446261,0.00006212109,0.001604544,0.00005549825,0.004721051],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001711325,"threshold_uncertainty_score":0.005725026,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0114459439437137,"score_gpt":0.2988158700601654,"score_spread":0.2873699261164517,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}