{"id":"W4415526653","doi":"10.1002/cbdv.202501035","title":"Iboga‐Indole Alkaloids as Potential Plasmodial Inhibitors: Identification, Biosynthesis, and Molecular Docking Studies","year":2025,"lang":"en","type":"article","venue":"Chemistry & Biodiversity","topic":"Alkaloids: synthesis and pharmacology","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Alexander von Humboldt-Stiftung","keywords":"Plasmodium falciparum; Molecular dynamics; In vitro; Molecular mechanics; Docking (animal); Solvation; Molecular model","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0005848008,0.0003476471,0.0004152695,0.0001057913,0.0008486949,0.00005723513,0.0004146462,0.0005295367,0.0008547173],"category_scores_gemma":[0.0002448721,0.0003773857,0.000172149,0.0002651798,0.0007712942,0.0001428344,0.0004785652,0.0005764597,0.0001861735],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001598378,"about_ca_system_score_gemma":0.0001376242,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004284285,"about_ca_topic_score_gemma":0.000002984788,"domain_scores_codex":[0.9980373,0.0002373763,0.0003973233,0.00067214,0.0001827693,0.0004731401],"domain_scores_gemma":[0.9988317,0.0002976843,0.0002030753,0.0002445354,0.0002101416,0.0002128557],"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":[0.0005400203,0.0002470196,0.01147932,0.0002407952,0.0009183464,0.0001227219,0.0003402244,0.00007050423,0.9504925,0.00008080323,0.03195839,0.003509366],"study_design_scores_gemma":[0.001239247,0.00001970529,0.0009727127,0.0000272283,0.0006342117,0.00002254802,0.0007233854,0.0001208718,0.9287953,0.0005054354,0.06660881,0.0003304921],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9888846,0.004371749,0.00003606049,0.002909405,0.001245488,0.0002570196,0.0001562509,0.000129861,0.002009588],"genre_scores_gemma":[0.9957574,0.001381753,0.0000410582,0.001879021,0.0002037446,0.00001462347,0.00005153344,0.000009252878,0.0006616165],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03465042,"threshold_uncertainty_score":0.9998678,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04503005861608734,"score_gpt":0.384827652615804,"score_spread":0.3397975939997167,"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."}}