A5022908447- Computational Drug Discovery Methods
- Machine Learning in Materials Science
- Protein Degradation and Inhibitors
- Genomics, phytochemicals, and oxidative stress
- Eicosanoids and Hypertension Pharmacology
- Alcohol Consumption and Health Effects
- Gout, Hyperuricemia, Uric Acid
- Genetics, Bioinformatics, and Biomedical Research
- Microbial Natural Products and Biosynthesis
- Chemical Synthesis and Analysis
- Peroxisome Proliferator-Activated Receptors
University of Naples Federico II
2023-2024
Xanthine oxidase (XO) is a flavoprotein catalysing the oxidation of hypoxanthine to xanthine and then uric acid, while simultaneously producing reactive oxygen species. Altered functions XO may lead severe pathological diseases, including gout-causing hyperuricemia oxidative damage tissues. These findings prompted research studies aimed at targeting activity this crucial enzyme. During course virtual screening study discovery novel inhibitors another oxidoreductase, superoxide dismutase, we...
A series of benzoxazole-based amides and sulfonamides were synthesized evaluated for their human peroxisome proliferator-activated receptor (PPAR)α PPARγ activity. All tested compounds showed a dual antagonist profile on both PPAR subtypes; based transactivation results, seven selected to test in vitro antiproliferative activity panel eight cancer cell lines with different expression rates PPARα PPARγ. 3f was identified as the most cytotoxic compound, higher potency colorectal HT-29 HCT116....
Drug discovery is a costly and time-consuming process, especially because of the significant expenses connected with high percentage clinical trial failures. As such, there need for new paradigms enabling optimization various stages, from hit identification to market approval. The upsurge in use artificial intelligence (AI) technologies advent deep learning (DL) demonstrated lot promise rethinking redesigning traditional pipelines drug discovery, including de novo molecular design. In this...
Drug discovery is a costly and time-consuming process, necessitating innovative strategies to enhance efficiency across different stages, from initial hit identification final market approval. Recent advancement in deep learning (DL), particularly