{"id":"W3131947229","doi":"10.20944/preprints202102.0408.v1","title":"Pharmacophore Based Screening & Modification of Amiloride Analogs for Targeting the NhaP-type Cation-Proton Antiporter in Vibrio cholerae","year":2021,"lang":"en","type":"preprint","venue":"Preprints.org","topic":"Vibrio bacteria research studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Antiporter; Vibrio cholerae; Amiloride; Chemistry; Periplasmic space; Biochemistry; Mutant; Transmembrane protein; Sodium–hydrogen antiporter; In silico; Wild type; Biophysics; Biology; Gene; Membrane; Genetics; Escherichia coli; Bacteria; Receptor; Sodium","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":[0.0001663259,0.0003753754,0.0005180192,0.0002297427,0.0001379492,0.0002057732,0.0004126333,0.000334473,0.0009706148],"category_scores_gemma":[0.0001730377,0.0001554799,0.0003253353,0.0002331472,0.0001374306,0.000160066,0.0002237058,0.0005129933,0.0002160172],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003137947,"about_ca_system_score_gemma":0.0002199771,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001144299,"about_ca_topic_score_gemma":0.001858322,"domain_scores_codex":[0.9998603,0.00002212378,0.00001320585,0.00003081365,0.00004385438,0.00002966252],"domain_scores_gemma":[0.9999518,0.000006632156,0.00001129572,0.000003706964,0.00001142501,0.00001501726],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003559479,0.0002722759,0.0002172369,0.0001504601,0.00002842989,0.0001497172,0.00001649436,0.001410504,0.9891819,0.0001154945,0.0001721756,0.007929265],"study_design_scores_gemma":[0.0002638361,0.003975891,0.003033778,0.00001641996,0.00008654991,0.0003575429,0.00004199137,0.006257889,0.9800211,0.00005929157,0.005856526,0.00002924907],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9834636,0.004808983,0.006607118,0.0002406329,0.00007516947,0.000495329,0.0007858375,0.000148402,0.003375041],"genre_scores_gemma":[0.9888003,0.002364946,0.006281798,0.0001310036,0.00001270642,0.0001257842,0.0006289189,0.00001571597,0.001638776],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001144299,"threshold_uncertainty_score":0.003246963,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1678377122131341,"score_gpt":0.4090313145503531,"score_spread":0.241193602337219,"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."}}