{"id":"W2037447601","doi":"10.1016/j.bmc.2010.04.051","title":"Inhibition of Mycobacterium tuberculosis tyrosine phosphatase PtpA by synthetic chalcones: Kinetics, molecular modeling, toxicity and effect on growth","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Protein Tyrosine Phosphatases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":91,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of British Columbia","funders":"Universidade Federal de Santa Catarina; Universidade de São Paulo; Financiadora de Estudos e Projetos; Conselho Nacional de Desenvolvimento Científico e Tecnológico","keywords":"Chemistry; Mycobacterium tuberculosis; Protein tyrosine phosphatase; Enzyme; Stereochemistry; Residue (chemistry); Active site; Population; Biochemistry; Tyrosine; Tuberculosis; Molecular model","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":[0.000145104,0.000308239,0.0002782983,0.0001305656,0.0001258377,0.0002876294,0.0003760235,0.0002990752,0.0006904862],"category_scores_gemma":[0.0002615065,0.0001195747,0.0002080568,0.0002271033,0.0001714566,0.0002030514,0.00008171912,0.0003870944,0.0002121943],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008276256,"about_ca_system_score_gemma":0.0003145846,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003374537,"about_ca_topic_score_gemma":0.002063788,"domain_scores_codex":[0.9999253,0.00001765309,0.000004891299,0.00001317126,0.00002193283,0.00001705448],"domain_scores_gemma":[0.9998741,0.00005052243,0.00002401735,0.00001040688,0.00002486731,0.00001602111],"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":[0.001423336,0.0003195797,0.001361743,0.0002389599,0.0000392288,0.0001860534,0.00005370892,0.04372471,0.9413643,0.001181387,0.0003994135,0.009707555],"study_design_scores_gemma":[0.00006617734,0.0007712781,0.000813535,0.000005327765,0.00002240101,0.00006738553,0.000022227,0.08779225,0.9096411,0.0001186896,0.0006647226,0.0000149828],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952931,0.00102998,0.002542272,0.00006238346,0.00001666222,0.00001117548,0.0002326646,0.00005924135,0.0007525582],"genre_scores_gemma":[0.9981024,0.0005362739,0.0006374033,0.000008757391,0.000002988106,0.000008081734,0.0001587773,0.000008083058,0.0005371776],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003374537,"threshold_uncertainty_score":0.006709814,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003909127761279316,"score_gpt":0.211340521821496,"score_spread":0.2074313940602167,"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."}}