{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000411832,0.0001884587,0.0003034613,0.00002715158,0.00005555564,0.000009958078,0.0001936525,0.0002031735,0.0002143146],"category_scores_gemma":[0.001492259,0.0001702837,0.0001175437,0.0002966995,0.000165235,0.000003064574,0.0001207654,0.0001086657,0.000006420958],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002385285,"about_ca_system_score_gemma":0.00008763091,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009019162,"about_ca_topic_score_gemma":0.000002138819,"domain_scores_codex":[0.9985979,0.00005364512,0.0003614489,0.0004098282,0.0003990663,0.0001780765],"domain_scores_gemma":[0.9991571,0.0000581229,0.0001883425,0.0002432624,0.0001292792,0.0002239021],"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":[0.00003666614,0.00004516812,0.001319336,0.0001106392,0.00009761066,0.000001802877,0.00004198407,3.643827e-7,0.9890937,0.000002572096,0.000502167,0.008748033],"study_design_scores_gemma":[0.0003731845,0.00008453232,0.0006338461,0.00004128107,0.0003398071,0.00001230465,0.0002173552,0.000071546,0.9966297,0.00002907239,0.001389982,0.0001774157],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9946247,0.001770313,0.00002423216,0.0009000672,0.00001524515,0.00009022816,0.0000130452,0.00001089717,0.00255129],"genre_scores_gemma":[0.9989099,0.0001442567,0.00008443106,0.0001727801,0.0004985778,0.00000901763,0.00005402315,0.00002339712,0.0001036174],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008570617,"threshold_uncertainty_score":0.694397,"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."}}