{"id":"W4394725739","doi":"10.1016/j.bmcl.2024.129745","title":"Modification of the phenyl ring B of phenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonates by pyridinyl moiety leads to novel antimitotics targeting the colchicine-binding site","year":2024,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Institut universitaire de cardiologie et de pneumologie de Québec; Hôpital Saint-François d'Assise","funders":"Fonds de Recherche du Québec - Santé; Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; Réseau Québécois de Recherche sur les Médicaments","keywords":"Chemistry; Colchicine; Tubulin; Microtubule; Mechanism of action; Moiety; Stereochemistry; In vivo; Microtubule polymerization; Binding site; In vitro; Pharmacology; Biochemistry; Cell biology; Biology","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006104831,0.0003582023,0.0004611336,0.00002503053,0.0001886506,0.00004419978,0.0007612898,0.0002145769,0.0003151605],"category_scores_gemma":[0.0006320518,0.0002086467,0.0002335604,0.0004930228,0.0003235115,0.00006687059,0.0002318834,0.0005255197,0.000009836289],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001653571,"about_ca_system_score_gemma":0.00006821955,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007842244,"about_ca_topic_score_gemma":0.000001149441,"domain_scores_codex":[0.9976928,0.00003273015,0.000659296,0.0005630627,0.0006183473,0.0004337769],"domain_scores_gemma":[0.9983125,0.0006007053,0.0003362451,0.0005459141,0.00008952923,0.0001150631],"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":[0.00003888327,0.0001068851,0.00255461,0.0006301856,0.0000845077,0.00000224098,0.0003223051,0.00003679585,0.9931809,0.00001057489,0.002414557,0.0006175685],"study_design_scores_gemma":[0.0002723146,0.00001030624,0.0005971902,0.0005700246,0.0001408187,0.00001596895,0.0004679698,0.0008991869,0.9954982,0.000006351524,0.001276983,0.0002446705],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990068,0.0007402087,0.0003985848,0.007714836,0.0002092683,0.0001416465,0.0001953783,0.00008446498,0.0004476305],"genre_scores_gemma":[0.9986902,0.00005877506,0.0001278687,0.0003511308,0.0005743977,0.00001270752,0.00004929474,0.0000410765,0.00009453905],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008622228,"threshold_uncertainty_score":0.8508366,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01865034909763095,"score_gpt":0.2345856665433642,"score_spread":0.2159353174457332,"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."}}