{"id":"W4200231296","doi":"10.1039/d1ob02280f","title":"Structural variation of the 3-acetamido-4,5,6-trihydroxyazepane iminosugar through epimerization and <i>C</i>-alkylation leads to low micromolar HexAB and NagZ inhibitors","year":2021,"lang":"en","type":"article","venue":"Organic & Biomolecular Chemistry","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Canadian Institutes of Health Research; Natural Sciences and Engineering Research Council of Canada; Association Vaincre la Mucoviscidose; Canada Research Chairs; Michael Smith Health Research BC","keywords":"Epimer; Alkylation; Chemistry; Stereochemistry; Iminosugar; Stereocenter; Enantioselective synthesis; Enzyme; Biochemistry; Catalysis","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":[0.00008409855,0.0003198262,0.0001815034,0.00009398274,0.00006449686,0.0001677855,0.0002195934,0.0001419628,0.001114869],"category_scores_gemma":[0.0001007603,0.00009474245,0.0001158113,0.0001067742,0.0001867067,0.0001289883,0.0001251409,0.0003926337,0.0004676787],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001754561,"about_ca_system_score_gemma":0.0001672601,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004328938,"about_ca_topic_score_gemma":0.0007250665,"domain_scores_codex":[0.9999368,0.000009957509,0.000005103693,0.00001220406,0.00001108747,0.00002479603],"domain_scores_gemma":[0.9999421,0.000009131265,0.00001815782,0.000008338267,0.000006112566,0.00001626914],"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":[0.0001494048,0.00002248044,0.00008472901,0.00001478565,0.000004364191,0.00005535128,0.00001242989,0.0001353434,0.9973224,0.0001097157,0.00002634789,0.002062629],"study_design_scores_gemma":[0.00001450704,0.0003413449,0.000626864,0.000001209578,0.000007135751,0.0000983816,0.000008069456,0.0001920343,0.9974877,0.00001508352,0.00120433,0.00000333589],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937894,0.0004910696,0.002429567,0.0000459952,0.00002698658,0.00003098249,0.0001420924,0.00009913574,0.002944784],"genre_scores_gemma":[0.9962114,0.0003960711,0.001614343,0.00002894609,0.000009928777,0.00001359278,0.000203452,0.00002211434,0.001500035],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001114869,"threshold_uncertainty_score":0.003729641,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004654554661716553,"score_gpt":0.1904771716639168,"score_spread":0.1858226170022003,"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."}}