检索结果-南通市图书馆

Spotted Hyena Optimizer Driven Deep Learning-Based drug-drug interaction Prediction in Big Data Environment

Computer Systems Science & Engineering 2023年第9期46卷 3831-3845页

作者： Mohammed Jasim Mohammed Jasim Shakir Fattah Kak Zainab Salih Ageed Subhi R.M.Zeebaree Engineering College Al-Kitab UniversityKirkukIraq Information Technology Department Technical College of Informatics-AkreDuhok Polytechnic UniversityDuhokIraq Computer Science Department College of ScienceNawroz UniversityDuhokIraq Energy Engineering Department Technical College of EngineeringDuhok Polytechnic UniversityDuhokIraq

Nowadays,smart healthcare and biomedical research have marked a substantial growth rate in terms of their presence in the literature,computational approaches,and discoveries,owing to which a massive quantity of experimental datasets was published and generated(Big Data)for describing and validating such novelties.drug-drug interaction(DDI)significantly contributed to drug administration and development.It continues as the main obstacle in offering inexpensive and safe healthcare.It normally happens for patients with extensive medication,leading them to take many drugs simultaneously.DDI may cause side effects,either mild or severe health problems.This reduced victims’quality of life and increased hospital healthcare expenses by increasing their recovery time.Several efforts were made to formulate new methods for DDI prediction to overcome this issue.In this aspect,this study designs a new Spotted Hyena Optimizer Driven Deep Learning based drug-drug interaction Prediction(SHODL-DDIP)model in a big data environment.In the presented SHODL-DDIP technique,the relativity and characteristics of the drugs can be identified from different sources for prediction.The input data is preprocessed at the primary level to improve its quality.Next,the salp swarm optimization algorithm(SSO)is used to select features.In this study,the deep belief network(DBN)model is exploited to predict the DDI accurately.The SHO algorithm is involved in improvising the DBN model’s predictive outcomes,showing the novelty of the work.The experimental result analysis of the SHODL-DDIP technique is tested using drug databases,and the results signified the improvements of the SHODLDDIP technique over other recent models in terms of different performance measures.

关键词： drug-drug interaction deep learning spotted hyena optimization feature selection classification

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Influence of traditional Chinese medicines on the in vivo metabolism of lopinavir/ritonavir based on UHPLC-MS/MS analysis

引用

Journal of Pharmaceutical Analysis 2022年第2期12卷 270-277页

作者： Linlin Li Xinxiang Yu Dongmin Xie Ningning Peng Weilin Wang Decai Wang Binglong Li Department of Clinical Pharmacy School of PharmacyShandong First Medical University&Shandong Academy of Medical SciencesTai'anShandong271016China

A fast,reliable,and cost-effective liquid chromatography-tandem mass spectrometry method was established to determine the effects of the traditional Chinese medicine employed to treat coronavirus disease 2019,namely,Lianhua Qingwen granules,Huoxiang Zhengqi capsules,Jinhua Qinggan granules,Shufeng Jiedu capsules,and Angong Niuhuang pills,on the pharmacokinetics of lopinavir/ritonavir in rats.Blood samples were prepared using the protein precipitation method and atazanavir was selected as the internal standard(IS).Separation was performed on an Agilent ZORBAX eclipse plus C18(2.1 mm×50 mm,1.8 μm)column using acetonitrile and water containing 0.1%formic acid as the mobile phase for gradient elution.The flow rate was 0.4 mL/min and the injection volume was 2 μL.Agilent Jet Stream electrospray ionization was used for mass spectrometry detection under positive ion multiple reaction monitoring mode at a transition of m/z 629.3→447.3 for lopinavir,m/z 721.3→296.1 for ritonavir,and m/z 705.4→168.1 for the IS.The method showed good linearity in the concentration range of 25→2500 ng/mL(r=0.9981)for lopinavir and 5e500 ng/mL(r=0.9984)for ritonavir.The intra-day and inter-day precision and accuracy were both within±15%.Items,such as dilution reliability and residual effect,were also within the acceptable limits.The method was used to determine the effects of five types of traditional Chinese medicines on the pharmacokinetics of lopinavir/ritonavir in rats.The pharmacokinetic results showed that the half-life of ritonavir in the groups administered Lianhua Qingwen granules and Huoxiang Zhengqi capsules combined with lopinavir/ritonavir was prolonged by approximately 1.5-to 2-fold relative to that in the control group.Similarly,the pharmacokinetic parameters of lopinavir were altered.Overall,the results of this study offer important theoretical parameters for the effective clinical use of five types of traditional Chinese medicines combined with lopinavir/ritonavir to reduce the occurrence of clinical adverse reactions.

关键词： Lopinavir/ritonavir Combination of Chinese and western medicine drug-drug interaction Ultra high-performance liquid chromatography-tandem mass spectrometry Pharmacokinetics COVID-19

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Predicting disruptions to drug pharmacokinetics and the risk of adverse drug reactions in nonalcoholic steatohepatitis patients

引用

Acta Pharmaceutica Sinica B 2023年第1期13卷 1-28页

作者： Solène Marie Kayla L.Frost Raymond K.Hau Lucy Martinez-Guerrero Jailyn M.Izu Cassandra M.Myers Stephen H.Wright Nathan J.Cherrington College of Pharmacy Department of Pharmacology&ToxicologyUniversity of ArizonaTucsonAZ 85721USA College of Medicine Department of PhysiologyUniversity of ArizonaTucsonAZ 85724USA

The liver plays a central role in the pharmacokinetics of drugs through drug metabolizing enzymes and transporters.Non-alcoholic steatohepatitis(NASH)causes disease-specific alterations to the absorption,distribution,metabolism,and excretion(ADME)processes,including a decrease in protein expression of basolateral uptake transporters,an increase in efflux transporters,and modifications to enzyme activity.This can result in increased drug exposure and adverse drug reactions(ADRs).Our goal was to predict drugs that pose increased risks for ADRs in NASH patients.Bibliographic research identified 71 drugs with reported ADRs in patients with liver disease,mainly non-alcoholic fatty liver disease(NAFLD),54 of which are known substrates of transporters and/or metabolizing enzymes.Since NASH is the progressive form of NAFLD but is most frequently undiagnosed,we identified other drugs at risk based on NASH-specific alterations to ADME processes.Here,we present another list of 71 drugs at risk of pharmacokinetic disruption in NASH,based on their transport and/or metabolism processes.It encompasses drugs from various pharmacological classes for which ADRs may occur when used in NASH patients,especially when eliminated through multiple pathways altered by the disease.Therefore,these results may inform clinicians regarding the selection of drugs for use in NASH patients.

关键词： Non-alcoholic steatohepatitis Hepatic elimination Transporter Enzyme Pharmacokinetics drug-drug interaction Liver Adverse drug reaction

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Deepdrug:A general graph-based deep learning framework for drug-drug interactions and drug-target interactions prediction

引用

Quantitative Biology 2023年第3期11卷 260-274页

作者： Qijin Yin Rui Fan Xusheng Cao Qiao Liu Rui Jiang Wanwen Zeng Ministry of Education Key Laboratory of Bioinformatics Research Department of Bioinformatics at the Beijing National Research Center for Information Science and TechnologyCenter for Synthetic and Systems BiologyDepartment of AutomationTsinghua UniversityBeijing 100084China College of Software Nankai UniversityTianjin 300350China Department of Statistics Stanford UniversityStanfordCA 94305USA

Background:Computational approaches for accurate prediction of drug interactions,such as drug-drug interactions(DDIs)and drug-target interactions(DTIs),are highly demanded for biochemical researchers.Despite the fact that many methods have been proposed and developed to predict DDIs and DTIs respectively,their success is still limited due to a lack of systematic evaluation of the intrinsic properties embedded in the corresponding chemical structure.Methods:In this paper,we develop Deepdrug,a deep learning framework for overcoming the above limitation by using residual graph convolutional networks(Res-GCNs)and convolutional networks(CNNs)to learn the comprehensive structure-and sequence-based representations of drugs and proteins.Results:Deepdrug outperforms state-of-the-art methods in a series of systematic experiments,including binary-class DDIs,multi-class/multi-label DDIs,binary-class DTIs classification and DTIs regression tasks.Furthermore,we visualize the structural features learned by Deepdrug Res-GCN module,which displays compatible and accordant patterns in chemical properties and drug categories,providing additional evidence to support the strong predictive power of Deepdrug.Ultimately,we apply Deepdrug to perform drug repositioning on the whole drugBank database to discover the potential drug candidates against SARS-CoV-2,where 7 out of 10 top-ranked drugs are reported to be repurposed to potentially treat coronavirus disease 2019(COVID-19).Conclusions:To sum up,we believe that Deepdrug is an efficient tool in accurate prediction of DDIs and DTIs and provides a promising insight in understanding the underlying mechanism of these biochemical relations.

关键词： drug-drug interaction drug-target interaction graph neural network deep learning

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Transporters(OATs and OATPs) contribute to illustrate the mechanism of medicinal compatibility of ingredients with different properties in yuanhuzhitong prescription

引用

Acta Pharmaceutica Sinica B 2020年第9期10卷 1646-1657页

作者： Ze Wang Haihua Shang Yazhuo Li Chen Zhang Yan Dong Tao Cui Hongbing Zhang Xiaoyan Ci Xiulin Yi Tiejun Zhang Fengying Yan Yaping Zhang Xing Huang Weidang Wu Changxiao Liu Tianjin University of Traditional Chinese Medicine Tianjin 300193China Biotechnology Center Tianjin Institute of Pharmaceutical Research Co.Ltd.Tianjin 300193China Tianjin Institute of Pharmaceutical Research New drug Evaluation Research Co.Ltd. State Key Laboratory of Drug Release Technology and PharmacokineticsTianjin 300031China Chu Hsien-I Memorial Hospital Tianjin Medical UniversityTianjin 300134China Shenyang Pharmaceutical University Shenyang 110016China Anhui Medical University Hefei 230032China Emergency Department Zhongshan HospitalFudan UniversityShanghai 200032China Hefei Tianhui Hatching Technology Co.Ltd. Hefei 230032China

Various medicinal ingredients with different tastes are combined according to the theory of compatibility in Chinese materia medica to achieve a better efficacy,while the mechanism was not very clear.Here,the authors studied the interaction between ingredients and human transporters such as the kidney transporters OAT1 and OAT3,the liver transporters OATP1 B1 and OATP1 B3,and the intestine transporter OATP2 B1 to discern the compatibility mechanism of ingredients with different tastes in the Yuanhuzhitong preparation(YHP)comprising Corydalis yanhusuo(CYH)and Angelica dahurica(AD),which could relieve pain by restraining the central system.The results show that tetrahydropalmatine(TDE),the major component of CYH,could be transported by OAT3 into kidney,OATP1 B1 and OATP1 B3 into liver,while imperatorin(IPT)and isoimperatorin(ISP),the two key components of AD,and AD extract showed strong inhibition to OAT1 and OAT3.What’s more,AD extract also exerted strongly inhibition to human transporters OATP1 B1 and OATP1 B3.It was also detected that IPT,ISP,and AD extract significantly downregulated the expression of Oatplal,Oafp1 a4,and Oatp1 b2 of liver in mice.The in vivo results show that the concentration of TDE in liver and kidney significantly decreased,while the TDE concentration in blood and brain were both significantly enhanced in the presence of IPT,ISP,and AD extract.These results suggest that the ingredients in AD with pungent taste could enhance the exposure of TDE in blood and brain by inhibiting the uptake of TDE in liver and kidney.That is to say,TDE with bitter taste could"flood up"into the central nervous system to play its therapeutic effect by the cut-off of that into liver and kidney in the presence of ingredients within AD.This paper not only proves the meridian distribution of CYH in liver and kidney with the role of OAT3,OATP1 B1,and OATP1 B3,but also illustrates how to improve the efficacy of CYH by reasonable compatibility with AD.This study may offer a valuable clue to illustrate the mechanism of c

关键词： Transporters drug-drug interaction Yuanhuzhitong prescription OAT1 OAT3 OATP1B1 OATP1B3 OATP2B1

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Possible agent for COVID-19 treatment:Rifampicin

引用

World Journal of Virology 2022年第5期11卷 391-393页

作者： Ozlem Celik Aydin Sonay Aydın Sureyya Barun Department of Medical Pharmacology Erzincan UniversityMengucek Gazi Education and Research HospitalErzincan 24100Turkey Department of Pharmacology Gazi UniversityAnkara 06500Turkey Department of Radiology Erzincan UniversityErzincan 24100Turkey

Rifampicin is a promising drug for the treatment of coronavirus disease 2019 based on its antiviral properties and recent in silico studies.In silico studies can serve as a foundation for further studies.

关键词： Rifampicin COVID-19 Treatment In silico drug-drug interaction Therapeutic potential

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Strategy for the control of drug-induced liver injury due to investigational treatments/drugs for COVID-19

引用

World Journal of Gastroenterology 2021年第48期27卷 8370-8373页

作者： Ken Sato Yuichi Yamazaki Toshio Uraoka Department of Gastroenterology and Hepatology Gunma University Graduate School of MedicineMaebashi 371-8511GunmaJapan

Investigational treatments/drugs for coronavirus disease 2019(COVID-19)have been applied,with repurposed or newly developed drugs,and their effectiveness has been evaluated.Some of these drugs may be hepatotoxic,and each monotherapy or combination therapy may increase the risk of drug-induced liver injury(DILI).We should aim to control dysregulation of liver function,as well as the progression of COVID-19,as much as possible.We discussed the potential risks of investigational treatments/drugs and promising drugs for both COVID-19 and DILI due to investigational treatments/drugs.

关键词： Coronavirus disease 2019 drug-induced liver injury Cytochrome P450 drug-drug interaction drug-disease interaction Cytokine

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Potential metabolic drug-drug interaction of Citrus aurantium L.(Rutaceae) evaluating by its effect on 3 CYP450

Potential metabolic drug-drug interaction of Citrus aurantiu...

引用

中国中西医结合学会诊断专业委员会第十三次全国学术研讨会

作者：邱新建周露崔曼黄惠勇 Department of Integrated Traditional Chinese and Western Medicine Xiangya Hospital Central South University Medical Sevices Section Second Affiliated Hospital of Shandong University of Traditional Chinese Medicine Provincial Key Laboratory of Diagnostics of Traditional Chinese Medicine Hunan University of Chinese Medicine

Background Fructus Aurantii(FA) is widely used in clinic as an expectorant and digestant herb in traditional Chinese medicine and proven to have a variety of pharmacological functions. FA is close to grapefruit either by botanical taxonomy or by their same components(flavonoids, etc.) and grapefruit has been proven to cause drug-drug interaction when co-administrated with CYP3A4 substrates. Besides, FA contains many compounds, such as flavonoids, which have been reported to impact the expressions of CYP450. However, the effect of FA on CYP450, whose change may affect drug safety and clinical efficacy attributed to drug-drug interaction, still remains unknown. Material and method The protein, mRNA expression and enzyme activity of CYP1A2, CYP3A4 and CYP2E1 in rat were determined by Western Blotting, RT-PCR method, the cocktail method, respectively, after orally administration of FA in succession for 7 days. CYP1A2, CYP3A4 and CYP2E1 mRNA expression were investigated in HepG2 cells following FA-medicated serum incubation for 24 h. Result In rat, compared to the control group, CYP1A2, CYP3A4 protein and mRNA expression were significantly induced consistent with the corresponding CYP activities;the protein expression of CYP2E1 was significantly up-regulated, while the corresponding mRNA expression and enzyme activity showed no significant change.In HepG2 cells, compared to the control group, the mRNA expression of CYP1A2 and CYP3A4 was up-regulated statistically while CYP2E1 mRNA expression was not significantly induced or inhibited. Conclusion FA may be a potential slight inducer of CYP1A2 and CYP3A4 and is unlikely to impact CYP2E1 until clinical researches are conducted.

关键词： Fructus Aurantii CYP1A2 CYP3A4 CYP2E1 drug-drug interaction

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

Inhibitory Effect of 5-Adenylic Acid on Bitter Taste of Antipsychotic drugs

引用

Pharmacology & Pharmacy 2022年第10期13卷 429-446页

作者： Jun Kawahara Rio Uno Honami Kojima Miyako Yoshida Takahiro Uchida Hidekazu Ikezaki Masaaki Habara Faculty of Pharmaceutical Science Mukogawa Women’s University Nishinomiya Hyogo Japan Intelligent Sensor Technology Inc. Atsugi Kanagawa Japan

The purpose of the present study was to examine the effect of adenylic acid (adenosine 5-monophosphate;AMP), a known nutritional enhancer, on inhibiting the bitterness of antipsychotic medicines administered to patients with mental illnesses, including children. First, we chose four antipsychotic medicines, amitriptyline hydrochloride (AMT), chlorpromazine hydrochloride (CPZ), haloperidol (HPD) and risperidone (RIS) and evaluated the inhibition of their bitterness by AMP through taste sensor measurements. AMP showed a significant bitterness inhibition effect on all drugs. Second, MarvinSketch analysis revealed the potential formation of electrostatic interactions between ionic forms (IV) of AMP and ionic (cationic) forms of each drug, which resulted in bitterness suppression. Third, chemical shift perturbations in 1H-NMR studies suggested an interaction between the phosphate group of AMP and amino group of AMT, CPZ, HPD and RIS. Last, conventional elution experiments of up to 1 min simulating oral cavity conditions were performed for 1 whole AMT tablet, half AMT tablet, crushed half AMT tablet, and crushed AMT tablet containing AMP powder/solution (1, 3 mM potency). The taste sensor output values of the crushed AMT tablet containing AMP powder/solution (1, 3 mM potency) were significantly lower than those of the crushed tablet.

关键词： Adenylic Acid Bitterness Antipsychotic Medicine Amitriptyline Chlorpromazine Haloperidol Risperidone Taste Sensor drug-drug interaction

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Complex diseases demand novel treatment strategies: understanding drug combination

引用

drug Combination Therapy 2022年第2期4卷 5-16页

作者： Renata Siqueira de Mello Vanessa Fernandes Arnaud-Sampaio Lucas Ferreira Maciel Vanessa de Sá Talita Glaser Henning Ulrich Claudiana Lameu Departamento de Bioquímica Instituto de QuímicaUniversidade de São PauloSPBrazil

For many multigene or multifactorial diseases,the one-drug therapy for inhibiting a defined molecular target is often less effective than combined treatments.Typically,drug combination therapies are multitargeted,so the mechanisms or even interactions are often complementary.These drug-drug interactions may promote alteration of pharmacokinetic or pharmacodynamic activities of one drug by another drug.Other interactions may change the expected effect of medications through polymorphisms that alter the expression or activity of the drug-mediated enzyme and the cell signaling cascade,such as drug-gene interactions and drug-drug-gene interactions.The number of possible existing interactions requires appropriate methods of study.In this review,we summarized combination therapies for cancer,as well as for viral,cardiovascular,and neurological diseases.Here,we also highlight known methodologies,such as in vitro methods based on Loewe’s and Bliss’s pioneer models and in silico methods based on online available data.With more elaborate methods and reliable results,multitarget therapies through drug combinations may increasingly benefit patients suffering from complex diseases.

关键词： drug combinations multitarget therapy combination therapy drug-drug interaction in vitro in silico methods and models

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：