ersilia-os / ersilia

The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
https://ersilia.io
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🦠 Model Request: Q-TB #662

Closed GemmaTuron closed 1 year ago

GemmaTuron commented 1 year ago

Model Name

QcrB Inhibition (M. tuberculosis)

Model Description

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.

Slug

qcrb-tb

Tag

M.tuberculosis, Antimicrobial activity

Publication

https://pubs.acs.org/doi/full/10.1021/acsomega.2c01613

Source Code

https://github.com/CoutinhoLab/Q-TB/

License

CC

GemmaTuron commented 1 year ago

/approve

github-actions[bot] commented 1 year ago

New Model Repository Created! 🎉

@GemmaTuron ersilia model respository has been successfully created and is available at:

🔗 ersilia-os/eos24jm

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GemmaTuron commented 1 year ago

This model has been incorporated