Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data 英文参考文献.docVIP

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Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data 英文参考文献.doc

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Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data 英文参考文献

PredictionofDrugCombinationsbyIntegrating MolecularandPharmacologicalData Xing-MingZhao1,MuratIskar1,GeorgZeller1,MichaelKuhn2,VeravanNoort1,PeerBork1,3* 1EuropeanMolecularBiologyLaboratory(EMBL),Heidelberg,Germany,2BiotechnologyCenter,TechnicalUniversityDresden,Dresden,Germany,3Max-Delbru¨ck-Centre forMolecularMedicine,Berlin,Germany Abstract Combinatorialtherapyisapromisingstrategyforcombatingcomplexdisordersduetoimprovedefficacyandreducedside effects. However, screening new drug combinations exhaustively is impractical considering all possible combinations betweendrugs.Here,wepresentanovelcomputationalapproachtopredictdrugcombinationsbyintegratingmolecular andpharmacologicaldata.Specifically,drugsarerepresentedbyasetoftheirproperties,suchastheirtargetsorindications. Byintegratingseveralofthesefeatures,weshowthatfeaturepatternsenrichedinapproveddrugcombinationsarenot onlypredictivefornewdrugcombinationsbutalsoprovideinsightsintomechanismsunderlyingcombinatorialtherapy. Further analysis confirmed that among our top ranked predictions of effective combinations, 69% are supported by literature,whiletheothersrepresentnovelpotentialdrugcombinations.Webelievethatourproposedapproachcanhelp tolimitthesearchspaceofdrugcombinationsandprovideanewwaytoeffectivelyutilizeexistingdrugsfornewpurposes. Citation: Zhao X-M, Iskar M, Zeller G, Kuhn M, van Noort V, et al. (2011) Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data.PLoSComputBiol7(12):e1002323.doi:10.1371/journal.pcbi.1002323 Editor:RussB.Altman,StanfordUniversity,UnitedStatesofAmerica ReceivedAugust25,2011;AcceptedNovember10,2011;PublishedDecember29,2011 Copyright: ? 2011 Zhao et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricteduse,distribution,andreproductioninanymedium,providedtheoriginalauthorandsourcearecredited. Funding:TheworkwassupportedbyEMBL.Thefundershadnoroleinstudydesign,datacollectionandanal