{"id":"W4399622475","doi":"10.1101/2024.06.12.598722","title":"Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of <i>Chikungunya</i> nsP2 Cysteine Protease with Anti-alphavirus Activity","year":2024,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Mosquito-borne diseases and control","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Genentech; Ontario Genomics; National Institutes of Health; UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Genome Canada; McGill University; North Carolina Biotechnology Center; Bayer; Pfizer; Bristol-Myers Squibb","keywords":"Alphavirus; Chikungunya; Virology; Alphavirus infection; Cysteine protease; Cysteine; Protease; Medicine; Chemistry; Virus; Enzyme; Biochemistry","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":[0.0001457235,0.0002748399,0.0001244804,0.0001097753,0.00008315715,0.0001548395,0.0002470458,0.0001628465,0.001624916],"category_scores_gemma":[0.0001013061,0.00009674236,0.0001312918,0.00009771364,0.0001311626,0.0001412385,0.0001130731,0.000221368,0.0002221626],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002317836,"about_ca_system_score_gemma":0.0001410611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007058319,"about_ca_topic_score_gemma":0.001037725,"domain_scores_codex":[0.9999276,0.0000184956,0.000005977377,0.00001186453,0.00001717638,0.00001883918],"domain_scores_gemma":[0.9999563,0.000007763577,0.00001638319,0.000005063045,0.000005394577,0.000009284468],"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":[0.0003854001,0.00009456289,0.0002625423,0.00007004508,0.00001731195,0.00006936538,0.00001739751,0.001432064,0.9916027,0.0003627093,0.0001299256,0.005556077],"study_design_scores_gemma":[0.0001167432,0.004036606,0.001894499,0.000008151746,0.00002489605,0.0001507472,0.00001656163,0.002851994,0.9873362,0.00006633302,0.00348778,0.000009308353],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939982,0.001626624,0.001139813,0.00003765217,0.00002530522,0.00004044037,0.0001691677,0.00005235294,0.002910465],"genre_scores_gemma":[0.9966152,0.0005519787,0.0009411699,0.00002472452,0.000004213352,0.00001554664,0.0002335284,0.000004893647,0.001608754],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001624916,"threshold_uncertainty_score":0.005435884,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007871386727418777,"score_gpt":0.233619279177048,"score_spread":0.2257478924496292,"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."}}