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dc.contributor.authorGlen, Roberten
dc.contributor.authorGalloway, Warrenen
dc.contributor.authorSpring, Daviden
dc.contributor.authorLiwiki, Gemmaen
dc.date.accessioned2016-07-25T09:46:26Z
dc.date.available2016-07-25T09:46:26Z
dc.date.issued2016-07-11en
dc.identifier.issn1868-1743
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/256825
dc.description.abstractEarly phase drug discovery is a multi-parameter optimisation process. Finding drugable targets, discovering starting points for lead optimisation and creating novel structures with new biological properties within these constraints is challenging. As an example of a drug optimisation strategy, recent work on 5-HT1B antagonists will be described. This is put in the context of the drugability of the target, the desired physicochemical properties of the desired molecules and approaches to compound design to create high affinity, selective molecules that are optimised to have low Central Nervous System (CNS) penetration.
dc.description.sponsorshipBiotechnology and Biological Sciences Research Council, Medical Research Council
dc.languageEnglishen
dc.language.isoenen
dc.publisherWiley
dc.subject5-HT1Ben
dc.subjectPulmonary Arterial Hypertensionen
dc.subjectPAHen
dc.subjectComputer-Aided Molecular Designen
dc.titleMultiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCRen
dc.typeArticle
dc.description.versionThis is the author accepted manuscript. The final version is available from Wiley via http://dx.doi.org/10.1002/minf.201600056en
prism.publicationDate2016en
prism.publicationNameMolecular Informaticsen
dc.identifier.doi10.17863/CAM.760
dcterms.dateAccepted2016-06-01en
rioxxterms.versionofrecord10.1002/minf.201600056en
rioxxterms.versionAMen
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2016-07-11en
dc.contributor.orcidGlen, Robert [0000-0003-1759-2914]
dc.contributor.orcidSpring, David [0000-0001-7355-2824]
dc.identifier.eissn1868-1751
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idRoyal Society (WM150022)
pubs.funder-project-idEuropean Research Council (279337)
pubs.funder-project-idEPSRC (EP/J016012/1)
pubs.funder-project-idEPSRC (EP/K039520/1)
rioxxterms.freetoread.startdate2017-07-11


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