AIMC Topic: DNA Topoisomerases, Type I

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Small Molecule Inhibitors of Topoisomerase I Identified by Machine Learning and In Vitro Assays.

International journal of molecular sciences Nov 15, 2024
Tuberculosis (TB) caused by is a leading infectious cause of death globally. The treatment of patients becomes much more difficult for the increasingly common multi-drug resistant TB. Topoisomerase I is essential for the viability of and has been v...
Humans Machine Learning Molecular Docking Simulation Antitubercular Agents Mycobacterium tuberculosis High-Throughput Screening Assays Binding Sites Small Molecule Libraries DNA Topoisomerases, Type I Topoisomerase I Inhibitors
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Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I.

Tuberculosis (Edinburgh, Scotland) Jan 20, 2017
There is a shortage of compounds that are directed towards new targets apart from those targeted by the FDA approved drugs used against Mycobacterium tuberculosis. Topoisomerase I (Mttopo I) is an essential mycobacterial enzyme and a promising target...
Humans Machine Learning Molecular Docking Simulation Computer-Aided Design Drug Design Dose-Response Relationship, Drug Structure-Activity Relationship Bayes Theorem Antitubercular Agents Tuberculosis Mycobacterium tuberculosis Molecular Targeted Therapy Protein Conformation Mycobacterium smegmatis DNA Topoisomerases, Type I Topoisomerase I Inhibitors
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