Drug Metabolism Reviews最新文献

Molecular docking to investigate HLA-associated idiosyncratic drug reactions. 分子对接研究 HLA 相关的特异性药物反应。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2025-01-20 DOI: 10.1080/03602532.2025.2453521

Kejun Li, Volker M Lauschke, Yitian Zhou

{"title":"Molecular docking to investigate HLA-associated idiosyncratic drug reactions.","authors":"Kejun Li, Volker M Lauschke, Yitian Zhou","doi":"10.1080/03602532.2025.2453521","DOIUrl":"10.1080/03602532.2025.2453521","url":null,"abstract":"Idiosyncratic drug reactions (IDRs) pose severe threats to patient health. Unlike conventionally dose-dependent side effects, they are unpredictable and more frequently manifest as life-threatening conditions, such as severe cutaneous adverse reactions (SCARs) and drug-induced liver injury (DILI). Some HLA alleles, such as HLA-B*57:01, HLA-B*15:02, and HLA-B*58:01, are known risk factors for adverse reactions induced by multiple drugs. However, the structural basis underlying most HLA-associated adverse events remains poorly understood. This review summarizes the application of molecular docking to reveal the mechanisms of IDR-related HLA associations, covering studies using this technique to examine drug-HLA binding pockets and identify key binding residues. We provide a comprehensive overview of risk HLA alleles associated with IDRs, followed by a discussion of the utility and limitations of commonly used molecular docking tools in simulating complex molecular interactions within the HLA binding pocket. Through examples, including the binding of abacavir and flucloxacillin to HLA-B*57:01, carbamazepine to HLA-B*15:02, and allopurinol to HLA-B*58:01, we demonstrate how docking analyses can provide insights into the drug and HLA allele-specificity of adverse events. Furthermore, the use of molecular docking to screen drugs with unknown IDR liability is examined, targeting either multiple HLA variants or a single specific variant. Despite multiple challenges, molecular docking presents a promising toolkit for investigating drug-HLA interactions and understanding IDR mechanisms, with significant implications for preemptive HLA typing and safer drug development.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"1-24"},"PeriodicalIF":3.4,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142983068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Promising role of peroxisome proliferator-activated receptors in respiratory disorders, a review. 过氧化物酶体增殖物激活受体在呼吸系统疾病中的重要作用

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-12-26 DOI: 10.1080/03602532.2024.2442012

Sima Beigoli, Sahar Kiani, Fereshteh Asgharzadeh, Arghavan Memarzia, Mohammad Hossein Boskabady

{"title":"Promising role of peroxisome proliferator-activated receptors in respiratory disorders, a review.","authors":"Sima Beigoli, Sahar Kiani, Fereshteh Asgharzadeh, Arghavan Memarzia, Mohammad Hossein Boskabady","doi":"10.1080/03602532.2024.2442012","DOIUrl":"https://doi.org/10.1080/03602532.2024.2442012","url":null,"abstract":"Several studies indicate various pharmacological and therapeutic effects of peroxisome proliferator-activated receptors (PPARs) in different disorders. The current review describes the influences of PPARs on respiratory, allergic, and immunologic diseases. Various databases, including PubMed, Science Direct, and Scopus, were searched regarding the effect of PPARs on respiratory and allergic disorders from 1990 to 2024. The effects of PPARs stimulation on experimental animal models of respiratory diseases such as asthma, chronic obstructive pulmonary diseases (COPD), pulmonary fibrosis (PF), and lung infections were shown. Therapeutic potential mediated through PPARs has also been demonstrated in lung cancer, lung infections, and allergic and immunologic disorders. However, few clinical studies showed PPARs mediated therapeutic effects on asthma and COPD. The PPARs-mediated effects on various respiratory disorders were shown through antioxidant, immunomodulatory, anti-inflammatory, and other mechanisms. Therefore, this review indicated possible remedy effects mediated by these receptors in treating respiratory, allergic, and immunologic diseases. Moreover, this mechanistic review paves the way for researchers to consider further experimental and clinical studies.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"1-25"},"PeriodicalIF":3.4,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142892504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Herb-drug interaction potential of Astragali Radix: a metabolic perspective. 黄芪的药物相互作用潜力：代谢的观点。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-12-18 DOI: 10.1080/03602532.2024.2441235

Tianwang Wang, Xiaofei Chen, Qing Gao, Chonggang Huang, Kai Wang, Feng Qiu

{"title":"Herb-drug interaction potential of Astragali Radix: a metabolic perspective.","authors":"Tianwang Wang, Xiaofei Chen, Qing Gao, Chonggang Huang, Kai Wang, Feng Qiu","doi":"10.1080/03602532.2024.2441235","DOIUrl":"https://doi.org/10.1080/03602532.2024.2441235","url":null,"abstract":"Astragali Radix (AR) is one of the most widely used herbs in Asia and has a wide range of biological activities. These activities are attributed to its various compounds like flavonoids, saponins, and polysaccharides. AR and its major components are often used in combination with other drugs for the treatment of diseases such as cancer and cerebral ischemia. With the expanding range of AR combinations, the potential for herb-drug interaction (HDI) has been raised. Key targets in HDI studies include drug-metabolizing enzymes (DMEs) and transporters. Existing studies have shown that AR and its major components have various regulatory effects on these targets, notably CYP2C9, CYP3A4, UGT1A6, and P-gp. AR may contribute to HDI when it is taken with substrates of these biomolecules, such as tolbutamide, midazolam, and digoxin. However, there are also different views in the current study, such as the effect of AR on CYP3A4. To better understand the interactions of AR with drugs, we review the metabolic pathways and pharmacokinetic parameters of the main components of AR. Meanwhile, the regulatory effects and mechanisms of AR on DMEs and transporters are summarized to provide a theoretical and technical basis for the rational use of AR in clinical practice.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"1-17"},"PeriodicalIF":3.4,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142846149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In silico ADME and target prediction studies of Alogliptin as drug molecule. 阿格列汀作为药物分子的ADME及靶标预测研究。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-12-13 DOI: 10.1080/03602532.2024.2439102

Vaishnavi Sanjay Patil, Bhavika Kapil Seth, Hemchandra K Chaudhari

{"title":"In silico ADME and target prediction studies of Alogliptin as drug molecule.","authors":"Vaishnavi Sanjay Patil, Bhavika Kapil Seth, Hemchandra K Chaudhari","doi":"10.1080/03602532.2024.2439102","DOIUrl":"10.1080/03602532.2024.2439102","url":null,"abstract":"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.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"1-8"},"PeriodicalIF":3.4,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142784480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Drug metabolism and transport mediated the hepatotoxicity of Pleuropterus multiflorus root: a review. 药物代谢和转运介导的多花蛇床子根肝毒性：综述。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-11-01 Epub Date: 2024-10-01 DOI: 10.1080/03602532.2024.2405163

Zhaoquan Wu, Dangang Shangguan, Qi Huang, Yi-Kun Wang

引用次数: 0

Metabolism and detection of designer benzodiazepines: a systematic review. 特制苯并二氮杂卓的代谢和检测；系统综述。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-11-01 Epub Date: 2024-10-14 DOI: 10.1080/03602532.2024.2410747

Prince S Gameli, Marilyn A Huestis, Aurora Balloni, Francesco P Busardò, Jeremy Carlier

{"title":"Metabolism and detection of designer benzodiazepines: a systematic review.","authors":"Prince S Gameli, Marilyn A Huestis, Aurora Balloni, Francesco P Busardò, Jeremy Carlier","doi":"10.1080/03602532.2024.2410747","DOIUrl":"10.1080/03602532.2024.2410747","url":null,"abstract":"Synthesis and illicit use of designer benzodiazepines are growing concerns, with these new psychoactive substances (NPS) posing serious health consequences and new hurdles for toxicologists. Consumption marker identification and characterization is paramount in confirming their use. The benzodiazepine core structure is a fusion of benzene and a seven-membered heterocycle with two nitrogen atoms forming the diazepine ring. Minor variations on the core structure produce different classes of benzodiazepines with marked differences in physiological effects. The present review provides a comprehensive designer benzodiazepines metabolism overview and suggests suitable human consumption biomarkers for toxicology casework. A systematic literature search of PubMed®, ScopusTM, Web of ScienceTM, and Cochrane databases was conducted independently by two coauthors adhering to PRISMA guidelines. Data from 30 in vitro and in vivo models of designer benzodiazepines metabolism from January 2007 to February 2023 were included. 1,4-benzodiazepines (n = 10), 2,3-benzodiazepines (n = 1), triazolo-benzodiazepines (n = 9), and thieno-triazolo-benzodiazepines (n = 3) study design, sample pretreatment, analytical techniques, and major metabolites detected in various matrices are addressed. Metabolites following hydroxylation and phase II glucuronide conjugation were the most prevalent analytes. N-Glucuronidation of parent azole-fused benzodiazepines, and nitro-reduced and N-acetylated metabolites of nitro-containing designer benzodiazepines were also common. From these data, we propose a generic metabolic pathway for designer benzodiazepines. The sporadic illicit market presents challenges in toxicological casework and necessitates comprehensive biomarker investigations, especially in cases with legal implications. There are few metabolism data for many designer benzodiazepines, emphasizing the need for research focusing on closing these gaps.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"359-384"},"PeriodicalIF":3.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142343669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Drug transporters in drug disposition - highlights from the year 2023. 药物处置中的药物转运体--2023 年的亮点。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-11-01 Epub Date: 2024-09-11 DOI: 10.1080/03602532.2024.2399523

Paresh P Chothe, Upendra A Argikar, Pallabi Mitra, Masanori Nakakariya, Diane Ramsden, Charles J Rotter, Philip Sandoval, Kimio Tohyama

{"title":"Drug transporters in drug disposition - highlights from the year 2023.","authors":"Paresh P Chothe, Upendra A Argikar, Pallabi Mitra, Masanori Nakakariya, Diane Ramsden, Charles J Rotter, Philip Sandoval, Kimio Tohyama","doi":"10.1080/03602532.2024.2399523","DOIUrl":"10.1080/03602532.2024.2399523","url":null,"abstract":"Drug transporter field is rapidly evolving with significant progress in in vitro and in vivo tools and, computational models to assess transporter-mediated drug disposition and drug-drug interactions (DDIs) in humans. On behalf of all coauthors, I am pleased to share the fourth annual review highlighting articles published and deemed influential in the field of drug transporters in the year 2023. Each coauthor independently selected peer-reviewed articles published or available online in the year 2023 and summarized them as shown previously (Chothe et al. 2021; Chothe et al. 2022, 2023) with unbiased perspectives. Based on selected articles, this review was categorized into four sections: (1) transporter structure and in vitro evaluation, (2) novel in vitro/ex vivo models, (3) endogenous biomarkers, and (4) PBPK modeling for evaluating transporter DDIs (Table 1). As the scope of this review is not to comprehensively review each article, readers are encouraged to consult original paper for specific details. Finally, I appreciate all the authors for their time and continued support in writing this review.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"318-348"},"PeriodicalIF":3.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142105410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances in drug resistance of osteosarcoma caused by pregnane X receptor. 孕烷 X 受体导致骨肉瘤耐药性的研究进展。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-11-01 Epub Date: 2024-06-13 DOI: 10.1080/03602532.2024.2366948

Kunhong Mao, Can Liu, Zhongwen Tang, Zhouzhou Rao, Jie Wen

引用次数: 0

The role and current research status of resveratrol in the treatment of osteoarthritis and its mechanisms: a narrative review. 白藜芦醇在骨关节炎治疗中的作用和研究现状及其机制：综述。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-11-01 Epub Date: 2024-10-08 DOI: 10.1080/03602532.2024.2402751

Xiongfei Zou, Hongjun Xu, Wenwei Qian

{"title":"The role and current research status of resveratrol in the treatment of osteoarthritis and its mechanisms: a narrative review.","authors":"Xiongfei Zou, Hongjun Xu, Wenwei Qian","doi":"10.1080/03602532.2024.2402751","DOIUrl":"10.1080/03602532.2024.2402751","url":null,"abstract":"Osteoarthritis (OA) is a chronic degenerative disease caused by various factors such as aging, obesity, trauma, and genetics. It is a challenging condition faced by orthopedic doctors in clinical practice and places a heavy burden on patients and their families. Currently, the treatment of OA primarily focuses on symptomatic relief and lacks ideal therapeutic methods. Resveratrol is a natural polyphenolic compound with anti-inflammatory and antioxidant properties, and in recent years, it has gained attention as a candidate drug for OA treatment. This article provides an overview of the research status on the role and mechanisms of resveratrol in treating OA. It has been found that resveratrol can prevent the development of OA by inhibiting inflammatory responses, protecting chondrocytes, maintaining cartilage homeostasis, promoting autophagy, and has shown certain therapeutic effects. This process may be related to the regulation of signaling pathways such as nuclear factor-kappa B (NF-κB), Toll-like receptor 4 (TLR4), and silent information regulator 1 (SIRT1). We summarize the current molecular mechanisms of resveratrol in treating OA, hoping to provide a reference for further research and application of resveratrol in OA treatment.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"399-412"},"PeriodicalIF":3.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142388856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Insights into pharmacogenetics, drug-gene interactions, and drug-drug-gene interactions. 对药物遗传学、药物-基因相互作用以及药物-药物-基因相互作用的见解。

IF 3.4 2区医学

Drug Metabolism Reviews Pub Date : 2024-08-18 DOI: 10.1080/03602532.2024.2385928

Laura E Russell, Katrina G Claw, Kaja M Aagaard, Sarah M Glass, Kuheli Dasgupta, F Leah Nez, Alex Haimbaugh, Benjamin J Maldonato, Jaydeep Yadav

{"title":"Insights into pharmacogenetics, drug-gene interactions, and drug-drug-gene interactions.","authors":"Laura E Russell, Katrina G Claw, Kaja M Aagaard, Sarah M Glass, Kuheli Dasgupta, F Leah Nez, Alex Haimbaugh, Benjamin J Maldonato, Jaydeep Yadav","doi":"10.1080/03602532.2024.2385928","DOIUrl":"https://doi.org/10.1080/03602532.2024.2385928","url":null,"abstract":"This review explores genetic contributors to drug interactions, known as drug-gene and drug-drug-gene interactions (DGI and DDGI, respectively). This article is part of a mini-review issue led by the International Society for the Study of Xenobiotics (ISSX) New Investigators Group. Pharmacogenetics (PGx) is the study of the impact of genetic variation on pharmacokinetics (PK), pharmacodynamics (PD), and adverse drug reactions. Genetic variation in pharmacogenes, including drug metabolizing enzymes and drug transporters, is common and can increase the risk of adverse drug events or contribute to reduced efficacy. In this review, we summarize clinically actionable genetic variants, and touch on methodologies such as genotyping patient DNA to identify genetic variation in targeted genes, and deep mutational scanning as a high-throughput in vitro approach to study the impact of genetic variation on protein function and/or expression in vitro. We highlight the utility of physiologically based pharmacokinetic (PBPK) models to integrate genetic and chemical inhibitor and inducer data for more accurate human PK simulations. Additionally, we analyze the limitations of historical ethnic descriptors in pharmacogenomics research. Altogether, the work herein underscores the importance of identifying and understanding complex DGI and DDGIs with the intention to provide better treatment outcomes for patients. We also highlight current barriers to wide-scale implementation of PGx-guided dosing as standard or care in clinical settings.","PeriodicalId":11307,"journal":{"name":"Drug Metabolism Reviews","volume":" ","pages":"1-19"},"PeriodicalIF":3.4,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141999580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0