{"id":"W4243672366","doi":"10.1039/c9sc02610j","title":"Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic α-amylase","year":2019,"lang":"en","type":"article","venue":"Chemical Science","topic":"Enzyme Production and Characterization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Biological and Environmental Research; Basic Energy Sciences; National Institute of General Medical Sciences; Canadian Glycomics Network; SLAC National Accelerator Laboratory; Goddard Space Flight Center; Networks of Centres of Excellence of Canada; Office of Science; National Institutes of Health; U.S. Department of Energy","keywords":"Amylase; Chemistry; Combinatorial chemistry; Computational biology; Biochemistry; Stereochemistry; Pharmacology; Biology; Enzyme","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":[0.0001425302,0.00005787162,0.0001076471,0.00003095233,0.00002210666,0.000005029131,0.0001501909,0.00004767298,0.00002991279],"category_scores_gemma":[0.0001752049,0.00005059001,0.00003944413,0.0001617058,0.0003146383,0.000005324017,0.00007141251,0.00003269748,0.000003523785],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009432274,"about_ca_system_score_gemma":0.0000332627,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001145348,"about_ca_topic_score_gemma":7.817216e-7,"domain_scores_codex":[0.9993712,0.00001276156,0.0001552933,0.000214621,0.0001454771,0.0001006707],"domain_scores_gemma":[0.9995617,0.000009485433,0.00009669183,0.0001768109,0.0001116152,0.00004373728],"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":[0.00001155429,0.00004350334,0.004804342,0.00002321894,0.000003995661,8.091625e-8,0.00003457134,0.000002021319,0.9945827,0.0002047793,0.00002806761,0.00026124],"study_design_scores_gemma":[0.00007008992,0.00006521508,0.0047437,0.0000348219,0.000006258593,0.000001282781,0.00008888165,0.00001741196,0.9947939,0.00001886428,0.0001008098,0.00005877557],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998033,0.00003216206,0.00002824222,0.00006545198,0.00004524198,0.00006806009,0.000007112038,0.000003900808,0.001716811],"genre_scores_gemma":[0.9996851,0.00001413451,0.0001313751,0.00002654417,0.00003926259,0.000003821356,0.00001754419,0.000003433281,0.00007876999],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001652097,"threshold_uncertainty_score":0.2063001,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006415802295042004,"score_gpt":0.2304291844300457,"score_spread":0.2240133821350037,"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."}}