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...
Small Molecule Libraries Dipeptidyl Peptidase 4 Diabetes Mellitus, Type 2 Dipeptidyl-Peptidase IV Inhibitors Molecular Docking Simulation Bayes Theorem Computer-Aided Design Humans Drug Design Machine Learning
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Electronic health record-enhanced signal detection using tree-based scan statistic methods.

American journal of epidemiology Jan 8, 2026
Tree-based scan statistics (TBSS) are data mining methods that screen thousands of hierarchically related health outcomes to detect unsuspected adverse drug effects. TBSS traditionally analyze claims data with outcomes defined via diagnosis codes. TB...
Male Middle Aged Diabetes Mellitus, Type 2 Electronic Health Records Female Humans Data Mining Sulfonylurea Compounds Hypoglycemic Agents Natural Language Processing Dipeptidyl-Peptidase IV Inhibitors Hypoglycemia
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Heterogeneous cardiovascular effects of sodium-glucose cotransporter 2 inhibitors in type 2 diabetes: a causal forest and target trial emulation study.

European journal of preventive cardiology Jan 6, 2026
AIMS: Evidence is limited as to who benefit the most from sodium-glucose cotransporter 2 inhibitors (SGLT2i), especially among people without elevated cardiovascular disease (CVD) risk. To address this knowledge gap, we investigated the heterogeneity...
Humans Databases, Factual Adult Male Cardiovascular Diseases Risk Factors Aged Female Japan Heart Disease Risk Factors Time Factors Dipeptidyl-Peptidase IV Inhibitors Sodium-Glucose Transporter 2 Inhibitors Diabetes Mellitus, Type 2 Middle Aged Treatment Outcome Risk Assessment
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DPP-IV inhibitory peptides from highland barley via machine learning and multi-scale validation.

Food chemistry Oct 15, 2025
Highland barley has shown potential in regulating blood glucose and may serve as a natural source of dipeptidyl peptidase-IV (DPP-IV) inhibitors. In this study, machine learning (Gradient Boosting Decision Trees) and virtual screening were employed t...
Dipeptidyl Peptidase 4 Dipeptidyl-Peptidase IV Inhibitors Male Plant Proteins Hordeum Peptides Humans Machine Learning Animals Hypoglycemic Agents Molecular Docking Simulation Molecular Dynamics Simulation
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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...
Dipeptidyl-Peptidase IV Inhibitors Plant Proteins Dipeptidyl Peptidase 4 Peptides Triticum Amino Acid Sequence Hydrolysis Molecular Dynamics Simulation Humans
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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...
Middle Aged Diabetes Mellitus, Type 2 United Kingdom Sodium-Glucose Transporter 2 Inhibitors Hypoglycemic Agents Precision Medicine Aged Adult Female Humans Glucagon-Like Peptide-1 Receptor Agonists Male Sulfonylurea Compounds Dipeptidyl-Peptidase IV Inhibitors
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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...
Algorithms Molecular Docking Simulation Dipeptidyl Peptidase 4 Drug Discovery Molecular Dynamics Simulation Humans Dipeptidyl-Peptidase IV Inhibitors Machine Learning Drug Evaluation, Preclinical
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