{"id":"W3035782629","doi":"10.1016/j.bmc.2020.115597","title":"Green asymmetric synthesis of epoxypeptidomimetics and evaluation as human cathepsin K inhibitors","year":2020,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canadian Blood Services","funders":"Canadian Institutes of Health Research; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; GlaxoSmithKline foundation; Fundação de Amparo à Pesquisa do Estado de São Paulo","keywords":"Chemistry; Peptidomimetic; Cathepsin K; Cysteine protease; Cathepsin; Cysteine Proteinase Inhibitors; Cysteine; Biochemistry; Mechanism of action; Stereochemistry; Enzyme; Enzyme inhibitor; IC50; In vitro; Combinatorial chemistry; Peptide; Apoptosis; Caspase","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":[0.0002017176,0.0004145164,0.0003126599,0.000203986,0.0001581175,0.000222435,0.0002565359,0.0003299589,0.002205231],"category_scores_gemma":[0.0001392928,0.0001711345,0.0002202564,0.0002163523,0.0001548968,0.0002662513,0.0002716667,0.0005997473,0.0006510153],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002748514,"about_ca_system_score_gemma":0.0002706884,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002362522,"about_ca_topic_score_gemma":0.0006423898,"domain_scores_codex":[0.9999006,0.00001584331,0.000007141071,0.00001596772,0.0000280091,0.00003237727],"domain_scores_gemma":[0.9999554,0.000007430479,0.00001209959,0.000005419923,0.000007043965,0.00001257957],"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":[0.0004013438,0.0001799919,0.0001007267,0.0003265187,0.00002788685,0.0005654162,0.00007556641,0.001716875,0.9746147,0.002103415,0.0009137765,0.01897394],"study_design_scores_gemma":[0.0001051321,0.000992801,0.0004619488,0.00001907234,0.00002916367,0.0004500981,0.00002738942,0.001429803,0.9818656,0.000323436,0.01427669,0.00001888364],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9040068,0.01267129,0.04617832,0.0007201367,0.0003412696,0.0004378853,0.001931528,0.0004113732,0.0333013],"genre_scores_gemma":[0.9744092,0.00643026,0.009071869,0.0001979342,0.00003799434,0.0001512468,0.0004875036,0.00005048086,0.009163491],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002205231,"threshold_uncertainty_score":0.007377207,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01487073006632942,"score_gpt":0.2582448700347232,"score_spread":0.2433741399683938,"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."}}