Patil Vaishnavi Sanjay, Seth Bhavika Kapil, Chaudhari Hemchandra K
Department of Pharmaceutical Sciences and Technology, Institute of Chemical Technology, Mumbai, India.
Drug Metab Rev. 2025 Feb;57(1):1-8. doi: 10.1080/03602532.2024.2439102. Epub 2024 Dec 13.
Alogliptin is an oral hypoglycemic agent selective inhibitor of the dipeptidyl peptidase-4 (DPP-4) enzyme. Inhibition of DPP-4 increases the levels of the incretin hormones glucagon-like peptide 1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP) by preventing their degradation. The main goal is to study the predicted and experimental properties of absorption, distribution, metabolism, and elimination (ADME), compare them, examine predicted targets, and understand the use of SwissADME in designing other drug molecules. SwissADME, an online tool for ADME prediction, was used together with Swiss Target Prediction to understand drug targets. In addition, we obtained experimental data from the available scientific literature. Molecular docking studies against human DPP-4 were also conducted. We found similarities between the predicted and experimental data; however, some errors depended on the test conditions. The results are interpreted in the first half of the article. We describe the predicted ADME properties of Alogliptin, and based on the results, we can conclude that these tools can be used to predict other drug molecules similarly. It can also reconfigure and manufacture several different formulations of the drug based on predictive data.
阿格列汀是一种口服降糖药，是二肽基肽酶-4（DPP-4）酶的选择性抑制剂。抑制DPP-4可通过防止胰高血糖素样肽1（GLP-1）和葡萄糖依赖性促胰岛素多肽（GIP）这两种肠促胰岛素激素的降解来提高其水平。主要目的是研究吸收、分布、代谢和排泄（ADME）的预测性质和实验性质，对它们进行比较，检查预测靶点，并了解SwissADME在设计其他药物分子中的应用。SwissADME是一种用于ADME预测的在线工具，与Swiss Target Prediction一起用于了解药物靶点。此外，我们从现有的科学文献中获取了实验数据。还进行了针对人DPP-4的分子对接研究。我们发现预测数据和实验数据之间存在相似性；然而，一些误差取决于测试条件。文章的前半部分对结果进行了解释。我们描述了阿格列汀的预测ADME性质，并根据结果得出结论，这些工具可类似地用于预测其他药物分子。它还可以根据预测数据重新配置和生产该药物的几种不同剂型。
