Addressing Data Point Homogeneity and Annotation Challenges to Enhance Data‐Driven Approaches: The <i>S. aureus</i> NorA Efflux Pump Case Study

In this study, we analyzed publicly accessible data related to the Staphylococcus aureus NorA protein, a well-known efflux pump involved in antimicrobial resistance. Our analysis revealed several inconsistencies in data annotation, and significant issues concerning the homogeneity across datasets, which compromise the reliability of data-driven approaches aimed at identifying novel Staphylococcus aureus NorA efflux pump inhibitors (EPIs). To address these challenges, we propose a standardized pipeline for experimental procedures and data annotation, designed to enhance the consistency and quality of EPI datasets submitted to repositories, thereby increasing the utility of publicly available datasets for the discovery of potential EPIs. By implementing this framework, the findings reported herein aim to foster more reliable and reproducible research outcomes in drug discovery projects targeting NorA or other efflux pumps.

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Journal
ChemMedChem
Published
2025-01-22
DOI
https://doi.org/10.1002/cmdc.202400927
Primary Topic
Tuberculosis Research and Epidemiology
Type
article
Field-Weighted Citation Impact
0.00

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article

Addressing Data Point Homogeneity and Annotation Challenges to Enhance Data‐Driven Approaches: The S. aureus NorA Efflux Pump Case Study

Maria Letizia Barreca, Giuseppe Manfroni, Marco Rocchi, Stefano Sabatini et al.
ChemMedChem
Tuberculosis Research and Epidemiology
article

Addressing Data Point Homogeneity and Annotation Challenges to Enhance Data‐Driven Approaches: The S. aureus NorA Efflux Pump Case Study

Maria Letizia Barreca, Giuseppe Manfroni, Marco Rocchi, Stefano Sabatini, Andrea Astolfi, Giada Cernicchi, Erika Primavera
article en

Abstract

In this study, we analyzed publicly accessible data related to the Staphylococcus aureus NorA protein, a well-known efflux pump involved in antimicrobial resistance. Our analysis revealed several inconsistencies in data annotation, and significant issues concerning the homogeneity across datasets, which compromise the reliability of data-driven approaches aimed at identifying novel Staphylococcus aureus NorA efflux pump inhibitors (EPIs). To address these challenges, we propose a standardized pipeline for experimental procedures and data annotation, designed to enhance the consistency and quality of EPI datasets submitted to repositories, thereby increasing the utility of publicly available datasets for the discovery of potential EPIs. By implementing this framework, the findings reported herein aim to foster more reliable and reproducible research outcomes in drug discovery projects targeting NorA or other efflux pumps.

ChemMedChemVol. 20(9)
University of Padua (IT), University of Perugia (IT), Siena Biotech (Italy) (IT)
European Commission, Università degli Studi di Perugia
Openalex Percentile: Top 98%
Tuberculosis Research and Epidemiology
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Addressing Data Point Homogeneity and Annotation Challenges to Enhance Data‐Driven Approaches: The <i>S. aureus</i> NorA Efflux Pump Case Study — Maria Letizia Barreca, Giuseppe Manfroni, et al. · ChemMedChem (2025) | TGRS Research Map | TGRS