QcrB Inhibition (M. tuberculosis)

The cytochrome bcc complex (QcrB) is a subunit of the mycobacterial cyt-bcc-aa3 oxidoreductase in the electron transport chain (ETC), and it has been suggested as a good M.tb target due to the bacteria's dependence on oxidative phosphorylation for its growth. The authors use a dataset of 352 molecules, of which 277 are classified as active (QIM < 1 uM), 58 as moderately active ( 1 > QIM < 20 uM) and 78 as inactive (QIM > 20). Qim refers to quantification of intracellular mycobacteria.

Identifiers

• EOS model ID: eos24jm
• Slug: qcrb-tb

Characteristics

• Input: Compound
• Input Shape: Single
• Task: Classification
• Output: Other value
• Output Type: Integer
• Output Shape: Single
• Interpretation: Class 1: active(QIM < 1uM), Class 2:moerately active (1 < QIM < 20uM), Class 3:inactive (QIM > 20uM)

References

• Publication
• Source Code
• Ersilia contributor: GemmaTuron

Ersilia model URLs

• GitHub
• AWS S3
• DockerHub (AMD64, ARM64)

Citation

If you use this model, please cite the original authors of the model and the Ersilia Model Hub.

License

This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a CC license.

Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.

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