{"id":"W3157791576","doi":"10.1016/j.bioorg.2021.104965","title":"Design and discovery of new antiproliferative 1,2,4-triazin-3(2H)-ones as tubulin polymerization inhibitors targeting colchicine binding site","year":2021,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":66,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Cultural Affairs and Missions Sector, Ministry of Higher Education; University of Ottawa","keywords":"Chemistry; Tubulin; Colchicine; Cytotoxicity; Combretastatin; Microtubule polymerization; Cell cycle checkpoint; Microtubule; Cell cycle; In vitro; Apoptosis; Stereochemistry; Cell culture; IC50; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001280492,0.0003757564,0.0003208276,0.0003023798,0.0001520945,0.0003286056,0.0003635499,0.0002246626,0.001400704],"category_scores_gemma":[0.00008182065,0.0002009831,0.0001713195,0.0002005023,0.0001786458,0.0001516391,0.0001548638,0.0004330701,0.0004015737],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003983767,"about_ca_system_score_gemma":0.0003633472,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005337539,"about_ca_topic_score_gemma":0.002590721,"domain_scores_codex":[0.9999461,0.000009427019,0.00000308403,0.000008150054,0.00001209161,0.00002114564],"domain_scores_gemma":[0.9999645,0.000003643488,0.00001107044,0.000002127864,0.000007176332,0.00001151816],"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":[0.000292241,0.0001391256,0.0002223002,0.0003032702,0.00002155149,0.0002017587,0.00006000277,0.00144915,0.9804134,0.001086272,0.0004874359,0.01532359],"study_design_scores_gemma":[0.0005172307,0.002941492,0.002850097,0.00004294711,0.00009664446,0.000558214,0.00005528504,0.005303228,0.9568228,0.0002723645,0.03050141,0.00003826847],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9611971,0.01294152,0.01351513,0.0005530117,0.0001251174,0.0005980078,0.0008245101,0.0003241555,0.009921466],"genre_scores_gemma":[0.968707,0.01184258,0.009465058,0.0002296298,0.0000346211,0.0002400388,0.0009904286,0.00002975795,0.008460878],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001400704,"threshold_uncertainty_score":0.004685819,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01209968815538436,"score_gpt":0.2232826732121707,"score_spread":0.2111829850567863,"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."}}