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Biology subjects

Godmer, A.

Publications and source records attributed to Godmer, A..

3 recordsLinked to original sources

Minimal effective dose of telacebec administered orally in a murine model of leprosy

Leprosy treatment requires prolonged therapy with challenging patient follow-up. New regimens are needed to simplify current treatments. A recent clinical trial evaluating bedaquiline has shown promising results; however, to prevent the emergence of drug resistance, additional therapeutic options are required. Telacebec (TCB), an imidazopyridine amide targeting the Mycobacterium leprae electron transport chain, represents a promising candidate. In this study, we determined the minimal effective dose (MED) of TCB against M. leprae in vivo by using the proportional bactericidal method in the mouse footpad model. Results were analyzed by using microscopy, RLEP qPCR and molecular viability. The MED obtained was 20 mg/kg. TCB doses [≥]20 mg/kg achieved complete bacterial clearance, similar to bedaquiline 25mg/kg. Molecular enumeration confirmed these findings whereas molecular viability assessment had limited applicability due to insufficient bacterial burden. These findings provide a strong foundation for clinical trial design and the development of combination therapies.

microbiology↗

diagFDR: Verifiable False Discovery Rate Reporting in Proteomics via Scope, Calibration, and Stability Diagnostics

AO_SCPLOWBSTRACTC_SCPLOWIn mass spectrometry-based proteomics, false discovery rate (FDR) control underpins the credibility of peptide and protein identifications. In contemporary workflows, including multi-run Data Independent Acquisition (DIA), deep learning-assisted scoring, library-free searches, and extensive post-processing, the statement "1% FDR" has become increasingly ambiguous, potentially referring to different statistical entities, multiple-testing scopes, and null models. We propose a standardized framework requiring explicit specification of three complementary properties: "scope", meaning which statistical universe is controlled; "calibration", meaning whether confidence measures behave consistently with their intended interpretation on the reported unit; and "stability", meaning whether acceptance thresholds and resulting identification lists remain robust to perturbations. Building on routine target/decoy outputs, we introduce pipeline-agnostic diagnostics that audit internal coherence of scores, q-values, and posterior error probabilities, quantify tail support and cutoff fragility, and test plausibility of target-decoy assumptions. We further complement internal checks with external validation via entrapment, which measures empirical false positives on knownabsent sequences. We highlight a "granularity paradox": as scoring becomes more discriminative, decoy matches can become so sparse near stringent cutoffs that the numerical support for decoy-based estimation deteriorates, making reported FDR thresholds increasingly fragile despite improved separation between the distributions of target and decoy scores. Applications to DIA-NN and MS2Rescore show that scope and aggregation choices can materially alter both estimated error rates and list reproducibility. We provide a practical reporting checklist and an open-source R package (diagFDR, available from CRAN) that generates diagnostic reports from standard software outputs. As a minimal verifiable reporting standard, we recommend that any "FDR = %" claim specify the controlled unit and scope, report tail support at the operating cutoff, and make decoy-inclusive outputs available for independent verification. HighlightsO_LIFDR claims can be misleading without explicit scope, calibration, and stability assessment. C_LIO_LIdiagFDR introduces pipeline-agnostic diagnostics from standard software outputs. C_LIO_LIThe granularity paradox shows sparse decoy tails can make stringent cutoffs numerically fragile. C_LIO_LICase studies show that scope misuse and rescoring can affect both error rates and stability. C_LIO_LIdiagFDR produces reviewer-ready reports and a practical reporting checklist. C_LI

bioinformatics↗

MSclassifR: an R package for supervised classification of mass spectra with machine learning methods

MSclassifR is an R package that has been specifically designed to improve the classification of mass spectra obtained from MALDI-TOF mass spectrometry. It offers a comprehensive range of functions that are focused on processing mass spectra, identifying discriminant m/z values, and making accurate predictions. The package introduces innovative algorithms for selecting discriminating m/z values and making predictions. To assess the effectiveness of these methods, extensive tests were conducted using challenging real datasets, including bacterial subspecies of the Mycobacterium abscessus complex, virulent and avirulent phenotypes of Escherichia coli, different species of Streptococci and nasal swabs from individuals infected and uninfected with SARS-CoV-2. Additionally, multiple datasets of varying sizes were created from these real datasets to evaluate the robustness of the algorithms. The results demonstrated that the Machine Learning-based pipelines in MSclassifR achieved high levels of accuracy and Kappa values. On an in-house dataset, some pipelines even achieved more than 95% mean accuracy, whereas commercial system only achieved 62% mean accuracy. Certain methods showed greater resilience to changes in dataset sizes when constructing Machine Learning-based pipelines. These simulations also helped determine the minimum sizes of training sets required to obtain reliable results. The package is freely available online, and its open-source nature encourages collaborative development, customization, and fosters innovation within the community focused on improving diagnosis based on MALDI-TOF spectra. Key pointsO_LIMSclassifR is a comprehensive R package enabling the construction of data analysis pipelines for the precise classification of mass spectra. C_LIO_LIOur R package contains an innovative method for variable selection from random forests, which delivered excellent results on real data. C_LIO_LIIn-depth analysis of various machine learning-based pipelines using our package allowed us to make conclusions about the optimal m/z selection and prediction methods depending on the size of the training dataset. C_LIO_LIUsing a publicly available dataset of mass spectra obtained from various MALDI-TOF instruments across different countries, MSclassifR is able to build robust pipelines capable of adapting to different instruments in an automatic way. C_LIO_LIWhen tested on an in-house dataset, MSclassifR pipelines consistently outperformed a commercial software in terms of prediction accuracy. C_LI

bioinformatics↗