{"id":"W3133833201","doi":"10.1016/j.ejmech.2021.113339","title":"Synthesis, biological evaluation, and docking studies of novel pyrrolo[2,3-b]pyridine derivatives as both ectonucleotide pyrophosphatase/phosphodiesterase inhibitors and antiproliferative agents","year":2021,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":22,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université Laval","funders":"Natural Sciences and Engineering Research Council of Canada; Crohn's and Colitis Canada; Deutscher Akademischer Austauschdienst; University of Sharjah","keywords":"Chemistry; Docking (animal); Cytotoxicity; IC50; Biochemistry; Hypophosphatasia; Phosphodiesterase; Lead compound; Pyrophosphatases; Isozyme; Enzyme; Sulfonylurea; Stereochemistry; Pharmacology; Alkaline phosphatase; In vitro; Diabetes mellitus; Biology","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":[0.0001576236,0.0003682025,0.0003693881,0.000222829,0.000198395,0.0002106516,0.0005059328,0.0002418311,0.001686816],"category_scores_gemma":[0.0001453225,0.0001478124,0.0001992447,0.0003136454,0.0001247191,0.0001829237,0.0001727037,0.0003369756,0.0003042134],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002538002,"about_ca_system_score_gemma":0.0002779048,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001290031,"about_ca_topic_score_gemma":0.002752509,"domain_scores_codex":[0.9999323,0.00001296043,0.000004369215,0.00000848652,0.00002180875,0.00002003453],"domain_scores_gemma":[0.9999677,0.000004219232,0.000007348935,0.000003768073,0.000006481547,0.00001050612],"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":[0.001077882,0.0009390481,0.0004972806,0.0006509278,0.00007749078,0.0008278692,0.0001000329,0.02016005,0.930099,0.002319,0.001030416,0.04222105],"study_design_scores_gemma":[0.0005648899,0.007804457,0.003416071,0.00007234322,0.0001715009,0.0009705826,0.00009406863,0.02800626,0.9393508,0.0003889544,0.01907718,0.00008277447],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9728743,0.01169677,0.006801414,0.0002460261,0.0001089773,0.0002021992,0.0006418056,0.0001252124,0.007303254],"genre_scores_gemma":[0.9840216,0.006917354,0.005405433,0.00007401295,0.00001551687,0.00006066012,0.0006183102,0.00001032065,0.002876903],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001686816,"threshold_uncertainty_score":0.005642951,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0469652700702276,"score_gpt":0.3180217117579307,"score_spread":0.2710564416877031,"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."}}