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dc.contributor.authorCamp, David
dc.contributor.authorGaravelas, Agatha
dc.contributor.authorCampitelli, Marc
dc.date.accessioned2017-06-02T03:01:29Z
dc.date.available2017-06-02T03:01:29Z
dc.date.issued2015
dc.identifier.issn0163-3864
dc.identifier.doi10.1021/acs.jnatprod.5b00255
dc.identifier.urihttp://hdl.handle.net/10072/79987
dc.description.abstractThe impact of time, therapy area, and route of administration on 13 physicochemical properties calculated for 664 drugs developed from a natural prototype was investigated. The mean values for the majority of properties sampled over five periods from pre-1900 to 2013 were found to change in a statistically significant manner. In contrast, lipophilicity and aromatic ring count remained relatively constant, suggesting that these parameters are the most important for successful prosecution of a natural product drug discovery program if the route of administration is not focused exclusively on oral availability. An examination by therapy area revealed that anti-infective agents had the most differences in physicochemical property profiles compared with other areas, particularly with respect to lipophilicity. However, when this group was removed, the variation between the mean values for lipophilicity and aromatic ring count across the remaining therapy areas was again found not to change in a meaningful manner, further highlighting the importance of these two parameters. The vast majority of drugs with a natural progenitor were formulated for either oral and/or injectable administration. Injectables were, on average, larger and more polar than drugs developed for oral, topical, and inhalation routes.
dc.description.peerreviewedYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.publisher.placeUnited States
dc.relation.ispartofpagefrom1370
dc.relation.ispartofpageto1382
dc.relation.ispartofjournalJournal of Natural Products
dc.relation.ispartofvolume78
dc.subject.fieldofresearchChemical sciences
dc.subject.fieldofresearchCheminformatics and quantitative structure-activity relationships
dc.subject.fieldofresearchBiological sciences
dc.subject.fieldofresearchBiomedical and clinical sciences
dc.subject.fieldofresearchcode34
dc.subject.fieldofresearchcode340404
dc.subject.fieldofresearchcode31
dc.subject.fieldofresearchcode32
dc.titleAnalysis of Physicochemical Properties for Drugs of Natural Origin
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
dc.description.versionAccepted Manuscript (AM)
gro.rights.copyrightThis document is the Accepted Manuscript version of a Published Work that appeared in final form in the Journal of Natural Products, copyright 2015 American Chemical Society and the American Society of Pharmacognosy after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acs.jnatprod.5b00255.
gro.hasfulltextFull Text
gro.griffith.authorCamp, David B.
gro.griffith.authorGaravelas, Agatha
gro.griffith.authorCampitelli, Marc R.


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