1st mutalig cost action training school -...

1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria

ScientificProgramDay1 Page1of6Wednesday,8thFebruary2017

08:00-08:55Arrival/Registration.(PharmaziezentrumUZA2,UniversityofVienna).

08:55–09:00MovetoLectureHall5(Hörsaal5).

09:00-09:15Welcome.SharonBryant,(LocalOrganizingChair)Inte:LigandGmbH,Austria.

09:15-09:30InitiativesoftheMuTaLigCostActionCA15135.StefanoAlcaro,(Chair,MuTaLigCOSTAction)University“MagnaGræcia”diCatanzaro,Italy.

LecturesSessionChair,FernandaBorges(ViceChair,MuTaLigCOSTAction,UniversityofPorto,Portugal)

09:30-10.00PharmacophoreApproachesforPolypharmacologicalProfilingofCompoundLibraries.ThierryLanger,UniversityofVienna,Austria.

10:10–10:30CoffeeBreak

10:30–11:00NavigationinChemicalSpaceTowardsBiologicalActivity.PeterErtl,Novartis,Switzerland.

11:10-11:40SmartScreeningLibrariesandSuccessfulMedicinalChemistry.Marie-LouiseJung,PrestwickChemical,France.

11:50–13:45Lunch(onyourown).

13:45-14:00MovetoTrainingSessions(PharmaziezentrumUZA2).

TrainingSessions Group1toRoom2F363 Group2toRoom2D313

Time Group1 Group2

14:00-15:45

Workshop1(Room2F363)FindingHitCompoundsUsingStructure-BasedPharmacophoreModelingandVirtualScreening.SharonBryant,GökhanIbis

Workshop2(Room-2D313)DataMiningandMachineLearningToolsforDrugDesign.HanochSenderowitz,AbrahamYosipof

15:45–16:00

CoffeeBreak CoffeeBreak

16:00-17:45

Workshop3(Room2F363)

Ligand-BasedPharmacophoreModelingandParallelVirtualScreeningStrategiestoFindMultiTargetLigands.SharonBryant,GökhanIbis

Workshop4(R00m-2D313)

InSilicoFragment-BasedDesignandProfilingofDiverseorFocusedCompoundLibraries.ThierryLanger,RiccardoMartini



ScientificProgramDay2 Page2of6Thursday,9thFebruary2017

08:15-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.

08:45-08:50MovetoLectureHall5(Hörsaal5).

08:50–09:00BriefWelcome&Announcements.SharonBryant,Inte:LigandGmbH,Austria.

LecturesSessionChair,RitaGuedes(UniversityofLisbon).

09:00–09:30ExploitingSemanticallyIntegratedLifeScienceData–fromTransporterProfilingto

ToxicityPrediction.GerhardEcker,UniversityofVienna,Austria.

09:40–10:10BuildingCompoundArchivesandTriagingHitListsfortheFuture.

RichardLewis,Novartis,Switzerland.

10:20–10:40CoffeeBreak

SessionChair,Marie-LouiseJung(PrestwickChemical).

10:40–11:10AnOptimizedApprovedDrugLibraryforCombinatorialScreening.StefanKubicek,CeMM,Austria.

11:20–11:50OptimizationAlgorithmsinChemoinformatics:TheoryandApplications.HanochSenderowitz,BarIlanUniversity,Israel.

11:50–13:45Lunch(onyourown).

13:45-14:00MovetoTrainingSessions(PharmaziezentrumUZA2).TrainingSessionsGroup2toRoom2F363 Group1toRoom2D313

Time Group2 Group1

14:00-15:45

Workshop1(Room2F363)FindingHitCompoundsUsingStructure-BasedPharmacophoreModelingandVirtualScreening.SharonBryant,GökhanIbis

Workshop2(Room-2D313)DataMiningandMachineLearningToolsforDrugDesign.HanochSenderowitz,AbrahamYosipof

15:45–16:00

CoffeeBreak CoffeeBreak

16:00-17:45

Workshop3(Room2F363)

Ligand-BasedPharmacophoreModelingandParallelVirtualScreeningStrategiestoFindMultiTargetLigands.SharonBryant,RiccardoMartini

Workshop4(Room-2D313)

InSilicoFragment-BasedDesignandProfilingofDiverseorFocusedCompoundLibraries.ThierryLanger,GökhanIbis



Page3of6ScientificProgramDay3Friday,10thFebruary2017

08:30-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.

08:45–08:50MovetoLectureHall5(Hörsaal5).

08:50–09:00BriefWelcome.SharonBryant,Inte:LigandGmbH,Austria.

LecturesSessionChair,ThierryLanger(UniversityofVienna).

09:00 – 09:30 Phenotypic Screening of Annotated Libraries: The Published Kinase Inhibitor Set(PKIS).PeterEttmayer,Boehringer-Ingelheim,Austria.

09:40–10:10MultiscaleApproachfortheStudyofGhrelinandTollLike7ReceptorLigands

ProposedbyPharmaceuticalCompanies.AndreaDanani,IDSIA,Switzerland.

10:20–10:50VirtualScreeningStrategiesinDrugDiscovery:SomeTheory…SomeApplications.

RitaGuedes,UniversityofLisbon,Portugal.

11:00–11:30CoffeeBreak.

SessionChair,HanochSenderowitz(BarIlanUniversity).

11:30–12:00MolecularDatabases:UsefultoolsforMedicinalChemists.DoWeNeedSomethingMore?FrancescoOrtuso,UniversityMagnaGræciadiCatanzaro,Italy.

SearchingtheChemotheca-InteractiveSession

12:00–13:00MuTaLigVirtualChemothecaUpdates:WhatitCanDoforUs,WhatWeCanDoforIt.BringyourcomputerandexperimentwiththefirstprototypeoftheMuTaLigChemotheca.FrancescoOrtuso&StefanoAlcaro.UniversityMagnaGræciadiCatanzaro,Italy.

ClosingSession

13:00–13:20MuTaLigCOSTAction:NextStepsforaSuccessfulFuture.FernandaBorges,(Vice

Chair,MuTaLigCOSTAction)UniversityofPorto,Portugal.

13:20–13:30ClosingRemarks.SharonBryant,Inte:LigandGmbH,Austria.

13:30TrainingSchoolCloses.



Page4of6AcknowledgementsLocalOrganizingCommitteeSharonD.Bryant(Inte:LigandGmbH)ThierryLanger(UniversitätWien)GoekhanIbis(Inte:LigandGmbH)DanielaKrizan(UniversitätWien)

MuTaLigCOSTAction(CA15135)Committee

RiccardoMartini(Inte:LigandGmbH)PatrickPenner(UniversitätWien)ClaraVanHoey(UniversitätWien)DorisSchuetz(UniversitätWien)

StefanoAlcaro,Chair(Italy)FernandaBorges,ViceChair(Portugal)JoãoCarlosFerreiraRibeiro(Portugal)DanijelKikelj(Slovenia)EugenioGaudio(Switzerland)SharonD.Bryant(Austria)HanochSenderowitz(Israel)MariaLauraBolognesi(Italy)

MaurizioBotta,(Italy)RitaGuedes(Portugal)

AnnaArtese(Italy)HolgerStark(Germany)

ClaireSchoemake(Malta)ChristaMuller(Germany)JoanaAbrantes(Portugal)

LuciaForzi(COST-Belgium)SvetlanaVoinova(COST-Belgium)


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Pharmaziezentrum(PharmacyCenter)UZA2SiteMap

RegistrationandLectureHall5islocatedinsectionDofthePharmaziezentrumUZA2U6-MetroLine(Brown)–ExitSpittelau.U4-MetroLine(Green)–ExitSpittelau.TramD–**(1)Augassestop(Recommended),(2)Lichtenwerderplatzstop(enterUZA2fromJosef

HoflaubekPlatz-goupthestairsandwalkstraighttotheMainEntrance),or(3)Althanstrassestop(notrecommendedfor1sttimevisitors--entertheBiozentrumUZA1buildingthenexitandcrossoverintoPharmaziezentrumUZA2).

WorkshopandLectureHallLocations


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NearbyRestaurants

1.Fly'sAmericanFiftiesRestaurant*HeiligenstädterStr.29-31,1190flys.at2.BrandauersBierbögen*HeiligenstädterStr.31,1190bierig.at3.AnkerBakery(Sandwiches&Pastries)Augasse2-6,109006:30-18:004.GasthausGrabmüllerLiechtenwerderPl.3,1190http://www.gasthausgrabmüller.at/5.JasminAlShamRestaurantHeiligenstädterStr.9,1190jasmin.al.sham6.TheRoastAugasse21,1090TheRoast7.CaféBlauSternDöblingerGürtel2,1190www.blaustern.at8.LichtenthalerBräu–CraftBeerPubLiechtensteinstraße108,1090lichtenthalerbraeu.at9.RestaurantMediterranoAlthanstrasse47,1090RestaurantMediterrano10.TokyoNudelAlthanstraße37,1090TokyoNudelRestaurant11.RistoranteTrattoriaAnticaAlthanstraße15,1090trattoria-antica.at12.Akakiko(Japanese)Julius-Tandler-Platz4,1090akakiko.at

1-2.TramD(Radelmayergasse-stop)3-6,8-11.VeryClose(6minuteswalkorless)7.Walk10min10.TramD(FranzJosefsBahnhof(Alserbachstraße)-Stop)

1st mutalig cost action training school -...

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