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Antitubercular Agents

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First-line drug resistance profiling of : a machine learning approach.

AMIA ... Annual Symposium proceedings. AMIA Symposium
The persistence and emergence of new multi-drug resistant Mycobacterium tuberculosis (M. tb) strains continues to advance the devastating tuberculosis (TB) epidemic. Robust systems are needed to accurately and rapidly perform drug-resistance profilin...

Antitubercular metabolites from the marine-derived fungus strain MF029.

Natural product research
During the systematic screening of bioactive compounds from our marine natural product library, crude extract of the marine-derived fungus strain MF029 exhibited moderate bioactivities against , S, methicillin-resistant , and bacillus Calmette-Guér...

Development and validation of consensus machine learning-based models for the prediction of novel small molecules as potential anti-tubercular agents.

Molecular diversity
Tuberculosis (TB) is an infectious disease and the leading cause of death globally. The rapidly emerging cases of drug resistance among pathogenic mycobacteria have been a global threat urging the need of new drug discovery and development. However, ...

GenTB: A user-friendly genome-based predictor for tuberculosis resistance powered by machine learning.

Genome medicine
BACKGROUND: Multidrug-resistant Mycobacterium tuberculosis (Mtb) is a significant global public health threat. Genotypic resistance prediction from Mtb DNA sequences offers an alternative to laboratory-based drug-susceptibility testing. User-friendly...

Identification of active molecules against Mycobacterium tuberculosis through machine learning.

Briefings in bioinformatics
Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis (Mtb) and it has been one of the top 10 causes of death globally. Drug-resistant tuberculosis (XDR-TB), extensively resistant to the commonly used first-line drugs, has e...

Mycobacterium abscessus drug discovery using machine learning.

Tuberculosis (Edinburgh, Scotland)
The prevalence of infections by nontuberculous mycobacteria is increasing, having surpassed tuberculosis in the United States and much of the developed world. Nontuberculous mycobacteria occur naturally in the environment and are a significant proble...

Accurate and rapid prediction of tuberculosis drug resistance from genome sequence data using traditional machine learning algorithms and CNN.

Scientific reports
Effective and timely antibiotic treatment depends on accurate and rapid in silico antimicrobial-resistant (AMR) predictions. Existing statistical rule-based Mycobacterium tuberculosis (MTB) drug resistance prediction methods using bacterial genomic s...

De novo design of anti-tuberculosis agents using a structure-based deep learning method.

Journal of molecular graphics & modelling
Mycobacterium tuberculosis (Mtb) is a pathogen of major concern due to its ability to withstand both first- and second-line antibiotics, leading to drug resistance. Thus, there is a critical need for identification of novel anti-tuberculosis agents t...

Machine learning-based drug design for identification of thymidylate kinase inhibitors as a potential anti-Mycobacterium tuberculosis.

Journal of biomolecular structure & dynamics
The rise of antibiotic-resistant Mycobacterium tuberculosis (Mtb) has reduced the availability of medications for tuberculosis therapy, resulting in increased morbidity and mortality globally. Tuberculosis spreads from the lungs to other parts of the...