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Identification of Guaifenesin-Andrographolide as a Novel Combinatorial Drug Therapy for Epilepsy Using Network Virtual Screening and Experimental Validation br

文献类型：期刊论文

作者Huang, Yunyuan2; Xu, Haiyan3; Wang, Pei3; Gu, Rurong3; Li, Xiaokang2; Xu, Yixiang2; Wang, Jiqun2; Qiao, Sicong2; Shi, Donglei2; Gao, Zhaobing3
刊名ACS CHEMICAL NEUROSCIENCE
出版日期2022-04-06
卷号13期号:7页码:978-986
ISSN号1948-7193
关键词epilepsy combination drug anticonvulsant activity synergistic mechanism guaifenesin andrographolide
DOI10.1021/acschemneuro.1c00774
通讯作者Gao, Zhaobing(zbgao@simm.ac.cn) ; Li, Jian(jianli@ecust.edu.cn)
英文摘要Combinatorial drug therapy has attracted substantial attention as an emerging strategy for the treatment of diseases with complex pathological mechanisms. We previously developed a potentially universal computational screening approach for combination drugs and used this approach to successfully identify some beneficial combinations for the treatment of heart failure. Herein, this screening approach was used to identify novel combination drugs for the treatment of epilepsy in an approved druglibrary. The combination of guaifenesin-andrographolide wasfirst discovered as a promising therapy with synergistic anticonvulsantactivities in maximal electroshock (MES)- and subcutaneous pentylenetetrazol (sc-PTZ)-induced epilepsy models in vivo. Thestudies of network analysis,fluorescence imaging, andN-methyl-D-aspartate (NMDA)-induced cytotoxicity further revealed thatguaifenesin-andrographolide might synergistically affect NMDA receptors and then alleviate the pathogenesis of epilepsy. Therefore, we report that the combination of guaifenesin-andrographolide exerts effects against epilepsy through a novel synergistic mechanism and is thus a potential treatment for epilepsy, providing a promising mechanism for the design of novel combinatorial drug treatments against epilepsy
WOS关键词MOLECULAR TARGETS ; NMDA ; DISCOVERY ; INHIBITORS ; DATABASE ; DESIGN ; MODELS
资助项目National Natural Science Foundation of China[82104068] ; National Natural Science Foundation of China[22107030] ; National Natural Science Foundation of China[22037002] ; National Natural Science Foundation of China[81872747] ; National Natural Science Foundation of China[81825021] ; Innovative Research Team of Highlevel Local Universities in Shanghai ; National Special Fund for State Key Laboratory of Bioreactor Engineering[2060204] ; Innovation Program of Shanghai Municipal Education Commission[2021-01-07-00-02-E00104] ; Shanghai Frontier Science Research Base of Optogenetic Techniques for Cell Metabolism[2021 Sci Tech 03 28]
WOS研究方向Biochemistry & Molecular Biology ; Pharmacology & Pharmacy ; Neurosciences & Neurology
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000785794700011
源URL[http://119.78.100.183/handle/2S10ELR8/299367]  
专题新药研究国家重点实验室
通讯作者Gao, Zhaobing; Li, Jian
作者单位1.Tongji Univ, Clin Med Sci & Tech Innovat Ctr, Shanghai Peoples Hosp 10, Sch Med, Shanghai 200092, Peoples R China
2.East China Univ Sci & Technol, Shanghai Frontier Sci Res Base Optogenet Tech Cel, Frontiers Sci Ctr Materiobiol & Dynam Chem, Sch Pharm,State Key Lab Bioreactor Engn,Shanghai, Shanghai 200237, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Mat Med, CAS Key Lab Receptor Res, State Key Lab Drug Res, Shanghai 201203, Peoples R China
4.Dali Univ, Yunnan Key Lab Screening & Res Anti Pathogen Plan, Coll Pharm, Dali 671000, Peoples R China
5.Hainan Univ, Coll Pharm, Minist Educ, Key Lab Trop Biol Resources, Haikou 570228, Hainan, Peoples R China
推荐引用方式
GB/T 7714		 Huang, Yunyuan,Xu, Haiyan,Wang, Pei,et al. Identification of Guaifenesin-Andrographolide as a Novel Combinatorial Drug Therapy for Epilepsy Using Network Virtual Screening and Experimental Validation br[J]. ACS CHEMICAL NEUROSCIENCE,2022,13(7):978-986.
APA Huang, Yunyuan.,Xu, Haiyan.,Wang, Pei.,Gu, Rurong.,Li, Xiaokang.,...&Li, Jian.(2022).Identification of Guaifenesin-Andrographolide as a Novel Combinatorial Drug Therapy for Epilepsy Using Network Virtual Screening and Experimental Validation br.ACS CHEMICAL NEUROSCIENCE,13(7),978-986.
MLA Huang, Yunyuan,et al."Identification of Guaifenesin-Andrographolide as a Novel Combinatorial Drug Therapy for Epilepsy Using Network Virtual Screening and Experimental Validation br".ACS CHEMICAL NEUROSCIENCE 13.7(2022):978-986.

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来源：上海药物研究所

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