本文關(guān)鍵詞：利用網(wǎng)絡(luò)藥理學(xué)方法研究熱毒寧注射液抗流感病毒的分子作用機(jī)制，由筆耕文化傳播整理發(fā)布。

July[Article]

物理化學(xué)學(xué)報(bào)(WuliHuaxueXuebao)

ActaPhys.-Chim.Sin.2013,29(7),1415-1420

doi:10.3866/PKU.WHXB201304171

1415

利用網(wǎng)絡(luò)藥理學(xué)方法研究熱毒寧注射液抗流感病毒的分子作用機(jī)制

張新莊1

蕭

偉2,*

3

徐筱杰3,*

2

王振中2曹亮2孫蘭2

(1南京中醫(yī)藥大學(xué)藥學(xué)院,南京210046;康緣藥業(yè)中藥制藥新技術(shù)國(guó)家重點(diǎn)實(shí)驗(yàn)室,江蘇連云港222002;

北京大學(xué)化學(xué)與分子工程學(xué)院,北京100871)

摘要:采用分子對(duì)接、網(wǎng)絡(luò)分析預(yù)測(cè)熱毒寧注射液抗流感病毒的分子作用機(jī)制,并通過已建立的體外流感病

毒神經(jīng)氨酸酶篩選模型對(duì)網(wǎng)絡(luò)預(yù)測(cè)結(jié)果驗(yàn)證.結(jié)果表明,熱毒寧注射液所含化合物在化學(xué)空間上具有類藥性質(zhì);網(wǎng)絡(luò)分析揭示出熱毒寧注射液是通過與流感病毒吸附、脫殼、復(fù)制以及釋放等環(huán)節(jié)的多個(gè)蛋白相互作用發(fā)揮抗流感病毒作用的;對(duì)于預(yù)測(cè)的15個(gè)活性分子而言,實(shí)驗(yàn)結(jié)果初步證實(shí),對(duì)A型流感病毒,木犀草素呈現(xiàn)較強(qiáng)的抑制作用,槲皮素則呈現(xiàn)較弱的抑制作用,這也初步證實(shí)了預(yù)測(cè)結(jié)果.關(guān)鍵詞:

網(wǎng)絡(luò)藥理學(xué);熱毒寧;

O641

流感病毒;中藥;神經(jīng)氨酸酶

中圖分類號(hào):

StudyonMechanismoftheReduningInjectionontheInfluenzaVirus

UsingNetworkPharmacologyMethod

ZHANGXin-Zhuang1

XIAOWei2,*CAOLiang2

XUXiao-Jie3,*

SUNLan2

WANGZhen-Zhong2

(1CollegeofPharmacy,NanjingUniversityofChineseMedicine,Nanjing210046,P.R.China;2NationalKeyLaboratoryofPharmaceuticalNewTechnologyforChineseMedicine,KanionPharmaceuticalCorporation,Lianyungang222002,JiangsuProvince,P.R.China;3CollegeofChemistryandMolecularEngineering,PekingUniversity,Beijing100871,P.R.China)

Abstract:ThemechanismsoftheReduninginjectionontheinfluenzaviruswerestudiedbycomputermethodsatthemolecularlevel,includingdockingandnetworkanalysis.Aneuraminidase(NA)activityassaywasusedtoverifythepredictedresultsinvitro.ResultsshowthatmostofthecompoundsintheReduninginjectionexhibitgooddrug-likeproperties.ThemechanismoftheReduninginjectionmaybethatitaffectsviralentry,RNAsynthesis,orviralrelease,whichlimitsinfluenzavirusreplication.PotentialactivemoleculesoftheReduninginjectionwerefoundbyanalyzingthenetworkparametersofcompound-targetinteractionnetworks.Theexperimentalresultssuggestthatofthepotentialactivemolecules,luteolindisplayedsignificantinhibitoryactivitytowardtheinfluenzaAvirus,whilequercetinprovedlesseffective,whichsupportsthepredictedresults.KeyWords:

Networkpharmacology;Reduning;Influenzavirus;TraditionalChinesemedicine;Neuraminidase

1引言

流感是常見的急性呼吸道感染疾病,其主要病原體為流感病毒,屬于正粘病毒科的含包膜的RNA

病毒.由于其基因的高突變性以及人體對(duì)新病毒株缺乏免疫性,每年爆發(fā)的流感病毒會(huì)造成平均2-4萬人死亡,并給社會(huì)帶來嚴(yán)重的經(jīng)濟(jì)負(fù)擔(dān).1,2雖然現(xiàn)

Received:February22,2013;Revised:April17,2013;PublishedonWeb:April17,2013.

Correspondingauthors.XIAOWei,Email:xw_kanion@;Tel:+86-518-85521956.XUXiao-Jie,Email:xiaojxu@;Tel:+86-10-62757456.

Theprojectwassupportedbythe“InnovativeDrugDevelopment”KeyProjectoftheMinistryofScienceandTechnologyofChina(2011ZX09304).國(guó)家科技部“重大新藥創(chuàng)制”項(xiàng)目(2011ZX09304)資助

EditorialofficeofActaPhysico-ChimicaSinica

  本文關(guān)鍵詞：利用網(wǎng)絡(luò)藥理學(xué)方法研究熱毒寧注射液抗流感病毒的分子作用機(jī)制，由筆耕文化傳播整理發(fā)布。