{"id":"W3128769516","doi":"10.1021/acs.jmedchem.0c01941","title":"Constraining the Side Chain of C-Terminal Amino Acids in Apelin-13 Greatly Increases Affinity, Modulates Signaling, and Improves the Pharmacokinetic Profile","year":2021,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Apelin-related biomedical research","field":"Medicine","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute for Research in Immunology and Cancer; Université de Montréal; Université de Sherbrooke","funders":"Fonds de Recherche du Québec - Santé; Canadian Institutes of Health Research; Mitacs; Vrije Universiteit Brussel; Canada Foundation for Innovation; Université de Sherbrooke; Canada Research Chairs; Government of Canada; Heart and Stroke Foundation of Canada","keywords":"Chemistry; Pharmacokinetics; Terminal (telecommunication); Apelin; Side chain; Amino acid; Pharmacology; Biochemistry; Stereochemistry; Receptor; Organic chemistry","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":[0.0002202247,0.0003295175,0.000340905,0.0001104689,0.000194508,0.0003625916,0.0004185927,0.0004420729,0.004893405],"category_scores_gemma":[0.0004733354,0.0001242101,0.0002987962,0.0001603786,0.0002660126,0.0003320483,0.000339919,0.000969642,0.001569285],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000236227,"about_ca_system_score_gemma":0.0003378224,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006168581,"about_ca_topic_score_gemma":0.0006551257,"domain_scores_codex":[0.9998614,0.00002998702,0.0000109691,0.00003308822,0.00003462342,0.00003000828],"domain_scores_gemma":[0.9997575,0.00005464328,0.00005953205,0.00003307862,0.00002655488,0.00006864177],"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":[0.001208539,0.00006893525,0.0002704077,0.00009026894,0.00002767763,0.0001536385,0.00001392329,0.0002825356,0.9915174,0.0002272206,0.0002428269,0.005896556],"study_design_scores_gemma":[0.0002550406,0.001167782,0.003071293,0.00003628241,0.00009645294,0.0008669497,0.00004071902,0.001647908,0.9792331,0.0003043709,0.01323724,0.00004285285],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9847239,0.002278285,0.00676934,0.0003640144,0.0002125464,0.00006774151,0.0006425864,0.0001198321,0.004821683],"genre_scores_gemma":[0.9827216,0.00151841,0.008642562,0.0005443665,0.00006296414,0.00007671945,0.0009971533,0.00007105478,0.005365259],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004893405,"threshold_uncertainty_score":0.01637,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02145228105631377,"score_gpt":0.3128564447066888,"score_spread":0.291404163650375,"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."}}