AIMC Topic: Oxidoreductases Acting on CH-CH Group Donors

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BLVRA promotes glioblastoma progression by regulating fatty acid metabolism.

Scientific reports
Fatty acid metabolism is critically involved in glioblastoma (GBM) pathogenesis; however, its regulatory mechanisms remain incompletely understood. In this study, we identified biliverdin reductase A (BLVRA) as a novel metabolic driver and prognostic...

Accelerating drug discovery targeting dihydroorotate dehydrogenase using machine learning and generative AI approaches.

Computational biology and chemistry
Dihydroorotate dehydrogenase (DHODH) is a key enzyme in pyrimidine biosynthesis, making it an attractive drug target for cancer, autoimmune diseases, and infections. Traditional DHODH inhibitor discovery is slow and costly. Our study integrated machi...

Machine Learning Assisted-Intelligent Lactic Acid Monitoring in Sweat Supported by a Perspiration-Driven Self-Powered Sensor.

Nano letters
Lactic acid has aroused increasing attention due to its close association with serious diseases. A real-time, dynamic, and intelligent detection method is vital for sensitive detection of lactic acid. Here, a machine learning (ML)-assisted perspirati...

Development of a machine learning-based target-specific scoring function for structure-based binding affinity prediction for human dihydroorotate dehydrogenase inhibitors.

Journal of computational chemistry
Human dihydroorotate dehydrogenase (hDHODH) is a flavin mononucleotide-dependent enzyme that can limit de novo pyrimidine synthesis, making it a therapeutic target for diseases such as autoimmune disorders and cancer. In this study, using the docking...

A Novel Graph Neural Network Methodology to Investigate Dihydroorotate Dehydrogenase Inhibitors in Small Cell Lung Cancer.

Biomolecules
Small cell lung cancer (SCLC) is a particularly aggressive tumor subtype, and dihydroorotate dehydrogenase (DHODH) has been demonstrated to be a therapeutic target for SCLC. Network pharmacology analysis and virtual screening were utilized to find ou...