Dataset Information
Khan2022 - QcrB Inhibition Prediction with Machine Learning Protocol
Ontology highlight
ABSTRACT: The cytochrome bcc complex (QcrB) is a subunit of the mycobacterial cyt-bcc-aa3 oxidoreductase, 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). Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos24jm
ORGANISM(S): Homo sapiens
SUBMITTER: Zainab Ashimiyu-Abdusalam
PROVIDER: MODEL2405080004 | biostudies-other |
SECONDARY ACCESSION(S): 35664614
REPOSITORIES: biostudies-other
Publications
Prediction of QcrB Inhibition as a Measure of Antitubercular Activity with Machine Learning Protocols.
ACS omega 20220519 21
It has always been a challenge to develop interventional therapies for <i>Mycobacterium tuberculosis</i>. Over the years, several attempts at developing such therapies have hit a dead-end owing to rapid mutation rates of the tubercular bacilli and their ability to lay dormant for years. Recently, cytochrome <i>bcc</i> complex (QcrB) has shown some promise as a novel target against the tubercular bacilli, with Q203 being the first molecule acting on this target. In this paper, we report the deplo ...[more]
