{"id":"W4407408675","doi":"10.1134/s1068162025010042","title":"Design, Synthesis, and Molecular Docking of Novel Benzothiazinone Derivatives as DprE1 Inhibitors with Potential Antitubercular Activities","year":2025,"lang":"en","type":"article","venue":"Russian Journal of Bioorganic Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Horizon College and Seminary","funders":"","keywords":"Bioorganic chemistry; Docking (animal); Chemistry; Computational biology; Combinatorial chemistry; Stereochemistry; Biochemistry; Nanotechnology; Biology; Enzyme; Medicine; Materials science","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":[0.0001483603,0.0006805456,0.0006164085,0.0003647163,0.0001836226,0.0004270852,0.0005594069,0.0002789866,0.003316446],"category_scores_gemma":[0.0001840941,0.0002219091,0.0004487466,0.0004369134,0.0001382036,0.0002901041,0.0002890209,0.0004793783,0.0007966799],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002992398,"about_ca_system_score_gemma":0.0003546542,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007494936,"about_ca_topic_score_gemma":0.001522766,"domain_scores_codex":[0.9999155,0.00001728883,0.00000557759,0.00001638126,0.00002656763,0.0000186881],"domain_scores_gemma":[0.9999563,0.000005686381,0.00001507113,0.000004025064,0.000008811929,0.00001019178],"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":[0.00143282,0.0009657679,0.002371915,0.002334301,0.0002838766,0.00124478,0.0001028901,0.09253486,0.8283546,0.004006081,0.002239246,0.06412884],"study_design_scores_gemma":[0.0012385,0.009639104,0.005653634,0.0002224901,0.0005724845,0.00131895,0.0001570527,0.1432105,0.7825794,0.001148891,0.0540981,0.0001607766],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9216731,0.02249967,0.03630118,0.0005723832,0.000140403,0.0005773408,0.00191606,0.0006592968,0.01566058],"genre_scores_gemma":[0.9533275,0.01170472,0.02819825,0.0001169499,0.00001920725,0.0002125712,0.001521842,0.0000549604,0.004844081],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003316446,"threshold_uncertainty_score":0.01109457,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007988164964519588,"score_gpt":0.212518461696645,"score_spread":0.2045302967321254,"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."}}