Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights

Drug-drug interactions (DDIs) pose a significant and intricate challenge in clinical pharmacotherapy, especially among older adults who often have chronic conditions that necessitate multiple medications. These interactions can undermine the effectiveness of treatments or lead to adverse drug reacti...

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Main Authors: Wenzhun Huang, Xiao Wang, Yunhao Chen, Changqing Yu, Shanwen Zhang
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-08-01
Series:Frontiers in Pharmacology
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Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2025.1618701/full
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author Wenzhun Huang
Wenzhun Huang
Xiao Wang
Xiao Wang
Yunhao Chen
Yunhao Chen
Changqing Yu
Shanwen Zhang
Shanwen Zhang
author_facet Wenzhun Huang
Wenzhun Huang
Xiao Wang
Xiao Wang
Yunhao Chen
Yunhao Chen
Changqing Yu
Shanwen Zhang
Shanwen Zhang
author_sort Wenzhun Huang
collection DOAJ
description Drug-drug interactions (DDIs) pose a significant and intricate challenge in clinical pharmacotherapy, especially among older adults who often have chronic conditions that necessitate multiple medications. These interactions can undermine the effectiveness of treatments or lead to adverse drug reactions (ADRs), which in turn can increase illness rates and strain healthcare resources. Traditional methods for detecting DDIs, such as clinical trials and spontaneous reporting systems, tend to be retrospective and frequently fall short in identifying rare, population-specific, or complex DDIs. However, recent advancements in artificial intelligence (AI), systems pharmacology, and real-world data analytics have paved the way for more proactive and integrated strategies for predicting DDIs. Innovative techniques like graph neural networks (GNNs), natural language processing, and knowledge graph modeling are being increasingly utilized in clinical decision support systems (CDSS) to improve the detection, interpretation, and prevention of DDIs across various patient demographics. This review aims to provide a thorough overview of the latest trends and future directions in DDIs research, structured around five main areas: (1) epidemiological trends and high-risk drug combinations, (2) mechanistic classification of DDIs, (3) methodologies for detection and prediction, particularly those driven by AI, (4) considerations for vulnerable populations, and (5) regulatory frameworks and pathways for innovation. Special emphasis is placed on the role of pharmacogenomic insights and real-world evidence in developing personalized strategies for assessing DDIs risks. By connecting fundamental pharmacological principles with advanced computational technologies, this review seeks to guide clinicians, researchers, and regulatory bodies. The integration of AI, multi-omics data, and digital health systems has the potential to significantly enhance the safety, accuracy, and scalability of DDIs management in contemporary healthcare.
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spelling doaj-art-4afdd7bbdb4d463c8622ba6d1e943bac2025-08-20T03:36:37ZengFrontiers Media S.A.Frontiers in Pharmacology1663-98122025-08-011610.3389/fphar.2025.16187011618701Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insightsWenzhun Huang0Wenzhun Huang1Xiao Wang2Xiao Wang3Yunhao Chen4Yunhao Chen5Changqing Yu6Shanwen Zhang7Shanwen Zhang8School of Electronic Information, Xijing University, Xi’an, Shaanxi, ChinaKey Laboratory of High Precision Industrial Intelligent Vision Measurement Technology, Xi’an, Shaanxi, ChinaSchool of Intelligent Manufacturing and Control Engineering, Qilu Institute of Technology, Jinan, ChinaShandong Provincial Key Laboratory of Industrial Big Data and Intelligent Manufacturing, Qilu Institute of Technology, Jinan, ChinaSchool of Electronic Information, Xijing University, Xi’an, Shaanxi, ChinaKey Laboratory of High Precision Industrial Intelligent Vision Measurement Technology, Xi’an, Shaanxi, ChinaSchool of Electronic Information, Xijing University, Xi’an, Shaanxi, ChinaSchool of Electronic Information, Xijing University, Xi’an, Shaanxi, ChinaKey Laboratory of High Precision Industrial Intelligent Vision Measurement Technology, Xi’an, Shaanxi, ChinaDrug-drug interactions (DDIs) pose a significant and intricate challenge in clinical pharmacotherapy, especially among older adults who often have chronic conditions that necessitate multiple medications. These interactions can undermine the effectiveness of treatments or lead to adverse drug reactions (ADRs), which in turn can increase illness rates and strain healthcare resources. Traditional methods for detecting DDIs, such as clinical trials and spontaneous reporting systems, tend to be retrospective and frequently fall short in identifying rare, population-specific, or complex DDIs. However, recent advancements in artificial intelligence (AI), systems pharmacology, and real-world data analytics have paved the way for more proactive and integrated strategies for predicting DDIs. Innovative techniques like graph neural networks (GNNs), natural language processing, and knowledge graph modeling are being increasingly utilized in clinical decision support systems (CDSS) to improve the detection, interpretation, and prevention of DDIs across various patient demographics. This review aims to provide a thorough overview of the latest trends and future directions in DDIs research, structured around five main areas: (1) epidemiological trends and high-risk drug combinations, (2) mechanistic classification of DDIs, (3) methodologies for detection and prediction, particularly those driven by AI, (4) considerations for vulnerable populations, and (5) regulatory frameworks and pathways for innovation. Special emphasis is placed on the role of pharmacogenomic insights and real-world evidence in developing personalized strategies for assessing DDIs risks. By connecting fundamental pharmacological principles with advanced computational technologies, this review seeks to guide clinicians, researchers, and regulatory bodies. The integration of AI, multi-omics data, and digital health systems has the potential to significantly enhance the safety, accuracy, and scalability of DDIs management in contemporary healthcare.https://www.frontiersin.org/articles/10.3389/fphar.2025.1618701/fulldrug-drug interactionsartificial intelligenceclinical decision support systemspolypharmacypharmacogenomicsknowledge graphs
spellingShingle Wenzhun Huang
Wenzhun Huang
Xiao Wang
Xiao Wang
Yunhao Chen
Yunhao Chen
Changqing Yu
Shanwen Zhang
Shanwen Zhang
Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
Frontiers in Pharmacology
drug-drug interactions
artificial intelligence
clinical decision support systems
polypharmacy
pharmacogenomics
knowledge graphs
title Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
title_full Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
title_fullStr Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
title_full_unstemmed Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
title_short Advancing drug-drug interactions research: integrating AI-powered prediction, vulnerable populations, and regulatory insights
title_sort advancing drug drug interactions research integrating ai powered prediction vulnerable populations and regulatory insights
topic drug-drug interactions
artificial intelligence
clinical decision support systems
polypharmacy
pharmacogenomics
knowledge graphs
url https://www.frontiersin.org/articles/10.3389/fphar.2025.1618701/full
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