{"id":"W2015037490","doi":"10.1016/j.bmcl.2012.10.034","title":"Inhibition of HIV-1 capsid assembly: Optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold","year":2012,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":36,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Montréal; Boehringer Ingelheim (Canada)","funders":"World Health Organization","keywords":"Capsid; Chemistry; Benzimidazole; Potency; Stereochemistry; Structure–activity relationship; Furan; Human immunodeficiency virus (HIV); Pharmacology; Virology; Biochemistry; In vitro; Organic chemistry; Biology","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001839057,0.0003196519,0.0002425379,0.0001008699,0.0001182861,0.0002413485,0.0003446325,0.0002425673,0.0007115049],"category_scores_gemma":[0.000135645,0.0001379537,0.0001705936,0.00009783166,0.0001595338,0.0001666021,0.0001588646,0.0002961264,0.0002382319],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002472574,"about_ca_system_score_gemma":0.0002587908,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006437546,"about_ca_topic_score_gemma":0.001250536,"domain_scores_codex":[0.9999125,0.00001244622,0.000007187267,0.00001502629,0.00001970616,0.00003324071],"domain_scores_gemma":[0.9999391,0.000007912035,0.00002193407,0.000008977573,0.000006457886,0.00001564121],"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":[0.0002030345,0.00005018952,0.0000942397,0.00002622243,0.000004097597,0.00005604275,0.00001550672,0.0004066064,0.9965533,0.0001044086,0.00003480013,0.002451638],"study_design_scores_gemma":[0.00004607058,0.0005087944,0.0005071207,0.00000295948,0.000008409566,0.0001103551,0.000005131931,0.0007428109,0.9971445,0.00001630181,0.0009015684,0.000005808789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996013,0.0007709715,0.001501833,0.00004405859,0.00001857546,0.00003245088,0.00009394352,0.00004997232,0.001475131],"genre_scores_gemma":[0.9974673,0.0003306323,0.001402255,0.00001827835,0.000004361342,0.00001384642,0.0000791003,0.000006877261,0.0006772482],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007115049,"threshold_uncertainty_score":0.002380192,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007416334076399914,"score_gpt":0.2129897160447904,"score_spread":0.2055733819683905,"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."}}