{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002655265,0.0004044248,0.0003779574,0.00003150693,0.00006005047,0.00002229479,0.0002236288,0.0003733779,0.00009827007],"category_scores_gemma":[0.0007297421,0.0003746364,0.0000975435,0.0001260582,0.0003380459,0.000009386917,0.0001695541,0.0003088423,0.000005403591],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002401216,"about_ca_system_score_gemma":0.0000531289,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006507753,"about_ca_topic_score_gemma":0.000002941261,"domain_scores_codex":[0.9981837,0.00004264382,0.0004031795,0.0006736604,0.000338185,0.0003586054],"domain_scores_gemma":[0.9987646,0.00003155529,0.0001783458,0.0006134851,0.0001535951,0.0002584524],"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":[0.0002330631,0.0002224565,0.0002233093,0.0003784397,0.00005254519,0.00001320768,0.00001096287,0.00000102589,0.9977625,0.00006714816,0.0005685217,0.0004667969],"study_design_scores_gemma":[0.001262219,0.0008078978,0.00008196784,0.0001633332,0.0001206916,0.00007631227,0.00001483544,0.00007756009,0.9967695,0.00005082887,0.0002287494,0.0003461055],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9885004,0.009850543,0.0003736098,0.0002779528,0.0001351285,0.0002855537,0.0004145678,0.00003060943,0.0001316614],"genre_scores_gemma":[0.9979218,0.000341152,0.0001417887,0.0002512152,0.0002353661,0.00003424888,0.000994546,0.00005745951,0.00002247776],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009509391,"threshold_uncertainty_score":0.9998705,"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."}}