作者
Fanjin Wang, Nannapat Sangfuang, Laura E McCoubrey, Vipul Yadav, Moe Elbadawi, Mine Orlu, Simon Gaisford, Abdul W Basit
发表日期
2023/3/5
期刊
International Journal of Pharmaceutics
卷号
634
页码范围
122643
出版商
Elsevier
简介
The oral delivery of peptide therapeutics could facilitate precision treatment of numerous gastrointestinal (GI) and systemic diseases with simple administration for patients. However, the vast majority of licensed peptide drugs are currently administered parenterally due to prohibitive peptide instability in the GI tract. As such, the development of GI-stable peptides is receiving considerable investment. This study provides researchers with the first tool to predict the GI stability of peptide therapeutics based solely on the amino acid sequence. Both unsupervised and supervised machine learning techniques were trained on literature-extracted data describing peptide stability in simulated gastric and small intestinal fluid (SGF and SIF). Based on 109 peptide incubations, classification models for SGF and SIF were developed. The best models utilized k-Nearest Neighbor (for SGF) and XGBoost (for SIF) algorithms, with …
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