AIMC Topic: Dipeptidyl-Peptidase IV Inhibitors

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Predicting DPP-IV inhibitors with machine learning approaches.

Journal of computer-aided molecular design Feb 2, 2017
Dipeptidyl peptidase IV (DPP-IV) is a promising Type 2 diabetes mellitus (T2DM) drug target. DPP-IV inhibitors prolong the action of glucagon-like peptide-1 (GLP-1) and gastric inhibitory peptide (GIP), improve glucose homeostasis without weight gain...
Humans Machine Learning Molecular Docking Simulation Computer-Aided Design Drug Design Diabetes Mellitus, Type 2 Bayes Theorem Dipeptidyl Peptidase 4 Small Molecule Libraries Dipeptidyl-Peptidase IV Inhibitors
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Virtual Hydrolysis-Based Screening of Wheat-Derived DPP-IV Inhibitory Peptides: A Mechanistic Analysis Integrating Cell Experiments and Molecular Dynamics Simulations.

Journal of agricultural and food chemistry Aug 6, 2025
Dipeptidyl peptidase-IV (DPP-IV) inhibitors play a critical role in the treatment of diabetes and metabolic diseases. This study combines computational simulations with experimental validation to identify peptides with potential DPP-IV inhibitory act...
Humans Peptides Triticum Molecular Dynamics Simulation Amino Acid Sequence Hydrolysis Plant Proteins Dipeptidyl Peptidase 4 Dipeptidyl-Peptidase IV Inhibitors
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Evaluating prediction of short-term tolerability of five type 2 diabetes drug classes using routine clinical features: UK population-based study.

Diabetes, obesity & metabolism Aug 1, 2025
AIMS: A precision medicine approach in type 2 diabetes (T2D) needs to consider potential treatment risks alongside established benefits for glycaemic and cardiometabolic outcomes. Considering five major T2D drug classes, we aimed to describe variatio...
Humans Precision Medicine Female Aged Adult Male Middle Aged Diabetes Mellitus, Type 2 Hypoglycemic Agents United Kingdom Sodium-Glucose Transporter 2 Inhibitors Sulfonylurea Compounds Dipeptidyl-Peptidase IV Inhibitors Glucagon-Like Peptide-1 Receptor Agonists
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Bioactivity predictions and virtual screening using machine learning predictive model.

Journal of biomolecular structure & dynamics May 1, 2025
Recently, there has been significant attention on machine learning algorithms for predictive modeling. Prediction models for enzyme inhibitors are limited, and it is essential to account for chemical biases while developing them. The lack of repeatab...
Humans Machine Learning Algorithms Molecular Docking Simulation Drug Discovery Molecular Dynamics Simulation Drug Evaluation, Preclinical Dipeptidyl Peptidase 4 Dipeptidyl-Peptidase IV Inhibitors
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