Transcript 1 MuTaLig COST Action Training School

11stst
MuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
MuTaLigCOSTActionTrainingSchool
8-10February2017
Vienna,Austria
ComputationalApproachestoPolypharmacology
8-10February2017
Vienna,Austria
ScientificProgramDay1
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Wednesday,8 February2017 Page1of6
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,MuTaLigCOST
Action)University“MagnaGræcia”diCatanzaro,Italy.
Lectures
SessionChair,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
Time
14:00-
15:45
15:45–
16:00
16:0017:45
Group2toRoom2D313
Group1
Group2
Workshop1(Room2F363)
FindingHitCompoundsUsingStructure-Based
PharmacophoreModelingandVirtualScreening.
SharonBryant,GökhanIbis
Workshop2(Room-2D313)
DataMiningandMachineLearningTools
forDrugDesign.
HanochSenderowitz,AbrahamYosipof
CoffeeBreak
CoffeeBreak
Workshop3(Room2F363)
Workshop4(R00m-2D313)
Ligand-BasedPharmacophoreModelingand
ParallelVirtualScreeningStrategiestoFindMulti
TargetLigands.
SharonBryant,GökhanIbis
InSilicoFragment-BasedDesignand
ProfilingofDiverseorFocused
CompoundLibraries.
ThierryLanger,RiccardoMartini
1ststMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
MuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
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8-10February2017 Vienna,Austria
8-10February2017
Vienna,Austria
ScientificProgramDay2
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Thursday,9 February2017
08:15-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.
08:45-08:50MovetoLectureHall5(Hörsaal5).
08:50–09:00BriefWelcome&Announcements.SharonBryant,Inte:LigandGmbH,Austria.
Lectures
SessionChair,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-Based
PharmacophoreModelingandVirtualScreening.
SharonBryant,GökhanIbis
Workshop2(Room-2D313)
DataMiningandMachineLearningTools
forDrugDesign.
HanochSenderowitz,AbrahamYosipof
15:45–
16:00
CoffeeBreak
CoffeeBreak
16:0017:45
Workshop3(Room2F363)
Ligand-BasedPharmacophoreModelingand
ParallelVirtualScreeningStrategiestoFindMulti
TargetLigands.
SharonBryant,RiccardoMartini
Workshop4(Room-2D313)
InSilicoFragment-BasedDesignand
ProfilingofDiverseorFocused
CompoundLibraries.
ThierryLanger,GökhanIbis
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1ststMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
MuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
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8-10February2017 Vienna,Austria
8-10February2017
Vienna,Austria
ScientificProgramDay3
Friday,10thFebruary2017
08:30-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.
08:45–08:50MovetoLectureHall5(Hörsaal5).
08:50–09:00BriefWelcome.SharonBryant,Inte:LigandGmbH,Austria.
Lectures
SessionChair,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.DoWeNeedSomething
More?FrancescoOrtuso,UniversityMagnaGræciadiCatanzaro,Italy.
SearchingtheChemotheca-InteractiveSession
12:00–13:00MuTaLigVirtualChemothecaUpdates:WhatitCanDoforUs,WhatWeCanDofor
It.BringyourcomputerandexperimentwiththefirstprototypeoftheMuTaLig
Chemotheca.FrancescoOrtuso&StefanoAlcaro.UniversityMagnaGræciadi
Catanzaro,Italy.
ClosingSession
13:00–13:20MuTaLigCOSTAction:NextStepsforaSuccessfulFuture.FernandaBorges,(Vice
Chair,MuTaLigCOSTAction)UniversityofPorto,Portugal.
13:20–13:30ClosingRemarks.SharonBryant,Inte:LigandGmbH,Austria.
13:30TrainingSchoolCloses.
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
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Vienna,Austria
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Acknowledgements
LocalOrganizingCommittee
SharonD.Bryant(Inte:LigandGmbH)
ThierryLanger(UniversitätWien)
GoekhanIbis(Inte:LigandGmbH)
DanielaKrizan(UniversitätWien)
MuTaLigCOSTAction(CA15135)Committee
StefanoAlcaro,Chair(Italy)
FernandaBorges,ViceChair(Portugal)
JoãoCarlosFerreiraRibeiro(Portugal)
DanijelKikelj(Slovenia)
EugenioGaudio(Switzerland)
SharonD.Bryant(Austria)
HanochSenderowitz(Israel)
MariaLauraBolognesi(Italy)
RiccardoMartini(Inte:LigandGmbH)
PatrickPenner(UniversitätWien)
ClaraVanHoey(UniversitätWien)
DorisSchuetz(UniversitätWien)
MaurizioBotta,(Italy)
RitaGuedes(Portugal)
AnnaArtese(Italy)
HolgerStark(Germany)
ClaireSchoemake(Malta)
ChristaMuller(Germany)
JoanaAbrantes(Portugal)
LuciaForzi(COST-Belgium)
SvetlanaVoinova(COST-Belgium)
1st MuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
8-10February2017
Vienna,Austria
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Pharmaziezentrum(PharmacyCenter)UZA2SiteMap
RegistrationandLectureHall5islocatedinsectionDofthePharmaziezentrumUZA2
U6-MetroLine(Brown)–ExitSpittelau.
U4-MetroLine(Green)–ExitSpittelau.
TramD–**(1)Augassestop(Recommended),(2)Lichtenwerderplatzstop(enterUZA2fromJosef
HoflaubekPlatz-goupthestairsandwalkstraighttotheMainEntrance),or(3)Althanstrasse
stop(notrecommendedfor1sttimevisitors--entertheBiozentrumUZA1buildingthenexitand
crossoverintoPharmaziezentrumUZA2).
WorkshopandLectureHallLocations
1st MuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology
8-10February2017
Vienna,Austria
NearbyRestaurants
1.Fly'sAmericanFiftiesRestaurant*
HeiligenstädterStr.29-31,1190
flys.at
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2.BrandauersBierbögen*
HeiligenstädterStr.31,1190
bierig.at
3.AnkerBakery(Sandwiches&
Pastries)
Augasse2-6,1090
06:30-18:00
4.GasthausGrabmüller
LiechtenwerderPl.3,1190
http://www.gasthausgrabmüller.at/
5.JasminAlShamRestaurant
HeiligenstädterStr.9,1190
jasmin.al.sham
6.TheRoast
Augasse21,1090
TheRoast
7.CaféBlauStern
DöblingerGürtel2,1190
www.blaustern.at
8.LichtenthalerBräu–CraftBeerPub
Liechtensteinstraße108,1090
lichtenthalerbraeu.at
9.RestaurantMediterrano
Althanstrasse47,1090
RestaurantMediterrano
10.TokyoNudel
Althanstraße37,1090
TokyoNudelRestaurant
11.RistoranteTrattoriaAntica
Althanstraße15,1090
trattoria-antica.at
12.Akakiko(Japanese)
Julius-Tandler-Platz4,1090
akakiko.at
1-2.TramD(Radelmayergasse-stop)
3-6,8-11.VeryClose(6minuteswalkorless)
7.Walk10min
10.TramD(FranzJosefsBahnhof(Alserbachstraße)-Stop)