Identification of D- and L-phenylalanine enantiomeric mixtures by employing deep neural network models
Journal of Molecular Structure, cilt.1304, 2024 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1304
- Basım Tarihi: 2024
- Doi Numarası: 10.1016/j.molstruc.2024.137628
- Dergi Adı: Journal of Molecular Structure
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
- Anahtar Kelimeler: Deep learning, Enantiomer, Phenylalanine, Pre-trained models, Self-assembly
- Marmara Üniversitesi Adresli: Evet
Özet
Phenylalanine is an aromatic essential amino acid that exhibits the tendency to self-aggregate into fibrillar structures in its enantiomerically pure form. This observation was indicated as the underlying mechanism of phenylketonuria, which is a genetic condition associated with various neurological, physical, and developmental issues, characterized with phenylalanine buildup in the brain. The presence of D-phenylalanine was demonstrated previously to inhibit the formation of fibrils by L-phenlyalanine, indicating its potential use in phenylketonuria treatment. In this study, several combinations of D and L-phenylalanine were examined with the help of state-of-the-art deep learning methods for their fibril forming capacity, demonstrating the usefulness and accuracy of deep learning methods in distinguishing between different self-assembled structures.