AIMC Topic: Nucleoside-Phosphate Kinase

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Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies.

Molecular diversity Aug 16, 2024
Thymidylate kinase (TMK) is a pivotal enzyme in Mycobacterium tuberculosis (Mtb), crucial for phosphorylating thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), thereby playing a critical role in DNA biosynthesis. Dysregulation or inhibi...
Machine Learning Molecular Docking Simulation Protein Binding Antitubercular Agents Molecular Dynamics Simulation Mycobacterium tuberculosis Enzyme Inhibitors Protein Kinase Inhibitors Nucleoside-Phosphate Kinase Pharmacophore
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Cheminformatics and machine learning approaches for repurposing anti-viral compounds against monkeypox virus thymidylate kinase.

Molecular diversity Aug 2, 2023
One of the emerging epidemic concerns is Monkeypox disease which is spreading globally. This disease is caused by the monkeypox virus (MPXV), with an increasing global incidence with an outbreak in 2022. One of the novel targets for monkeypox disease...
Machine Learning Molecular Docking Simulation Antiviral Agents Drug Repositioning Molecular Dynamics Simulation Nucleoside-Phosphate Kinase Cheminformatics
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Machine learning-based drug design for identification of thymidylate kinase inhibitors as a potential anti-Mycobacterium tuberculosis.

Journal of biomolecular structure & dynamics May 26, 2023
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...
Humans Machine Learning Algorithms Molecular Docking Simulation Drug Design Protein Binding Antitubercular Agents Molecular Dynamics Simulation Mycobacterium tuberculosis Protein Kinase Inhibitors Nucleoside-Phosphate Kinase
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Enhancement of Nucleoside Production in Based on Biosynthetic Pathway Analysis.

BioMed research international Nov 29, 2017
To enhance nucleoside production in , the biosynthetic pathways of purine and pyrimidine nucleosides were constructed and verified. The differential expression analysis showed that , and genes involved in purine nucleotide biosynthesis were signifi...
Hypocreales Nucleosides Purines Biosynthetic Pathways Carbon-Nitrogen Ligases Nucleoside-Phosphate Kinase Pyrimidines Uridine
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