{"id":"W3215754987","doi":"10.1016/j.bioorg.2021.105506","title":"Synthesis of new clioquinol derivatives as potent α-glucosidase inhibitors; molecular docking, kinetic and structure–activity relationship studies","year":2021,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Natural Antidiabetic Agents Studies","field":"Medicine","cited_by":22,"is_retracted":false,"has_abstract":false,"ca_institutions":"Toronto General Hospital","funders":"","keywords":"Chemistry; Acarbose; IC50; Enzyme; Docking (animal); Stereochemistry; Non-competitive inhibition; Clioquinol; Lead compound; Active site; In vitro; Enzyme kinetics; Pharmacology; 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":[0.0002341189,0.0003807741,0.0003589937,0.0002781248,0.0001646286,0.0002060347,0.0005005081,0.0002050824,0.001686285],"category_scores_gemma":[0.0001813138,0.0001535173,0.0002567233,0.0002507365,0.0001806138,0.0002481059,0.0001886337,0.0004562907,0.0003658539],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003422739,"about_ca_system_score_gemma":0.0002735907,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001076506,"about_ca_topic_score_gemma":0.0019038,"domain_scores_codex":[0.9999353,0.00001170709,0.000005520783,0.00001278576,0.00001358686,0.00002115566],"domain_scores_gemma":[0.9999338,0.00001086357,0.000016902,0.000005900343,0.00001557002,0.00001679146],"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":[0.0006173606,0.0005507426,0.0004791444,0.0006521474,0.00008902698,0.0006897067,0.000187004,0.007649852,0.9622341,0.00238742,0.001050927,0.02341256],"study_design_scores_gemma":[0.0007736325,0.008074963,0.003289361,0.0001003317,0.0002564896,0.00092929,0.0001075943,0.01226319,0.9371179,0.0006429813,0.03632115,0.0001231388],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9467834,0.01418524,0.0264333,0.0004663147,0.0001482576,0.0004321145,0.001039868,0.0002585301,0.01025289],"genre_scores_gemma":[0.9858504,0.004645425,0.005607349,0.0001007732,0.00001396088,0.00006201004,0.0005266014,0.00002170646,0.003171649],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001686285,"threshold_uncertainty_score":0.005641162,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02276879415392143,"score_gpt":0.2834942007416417,"score_spread":0.2607254065877203,"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."}}