Zobrazeno 1 - 10 of 39 pro vyhledávání: '"Roger Lahana"'
1
Regioselective synthesis of peptidic derivatives and glycolamidic esters of Methotrexate
Autor: Patrick Mouchet, Roger Lahana, Cedric Castex, Christophe Lalanne, Marc Lemaire
Publikováno v: Tetrahedron. 61:803-812
Convenient methods for regioselective syntheses of Methotrexate peptidic conjugates are described. Solid phase synthesis for derivatives of Methotrexate containing an amide bond has been applied and showed higher efficiency than liquid phase synthesi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::55b40d41bfdce4941db4c376a6af6724
https://doi.org/10.1016/j.tet.2004.11.049
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2
Identification of Diverse Database Subsets using Property-Based and Fragment-Based Molecular Descriptions
Autor: Michael H. Charlton, Geoffrey M. Downs, Peter Willett, Roger Lahana, John M. Barnard, John D. Holliday, Florence Casset, Mark Ashton, Dominique Gorse
Publikováno v: Quantitative Structure-Activity Relationships. 21:598-604
This paper reports a comparison of calculated molecular properties and of 2D fragment bit-strings when used for the selection of structurally diverse subsets of a file of 44295 compounds. MaxMin dissimilarity-based selection and k-means cluster-based
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fe08ed50a94993e2e680ff3d5574a4f4
https://doi.org/10.1002/qsar.200290002
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3
Functional diversity of compound libraries
Autor: Roger Lahana, Dominique Gorse
Publikováno v: Current Opinion in Chemical Biology. 4:287-294
The ideal designed screening library should contain compounds with a variety of structural shapes and molecular properties, while avoiding redundancies. Other requirements involve the need to find structurally distinct leads and to recognise drug-lik
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30efbc3294b6068a0ef843eaf5be1fb5
https://doi.org/10.1016/s1367-5931(00)00091-0
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4
Computer-assisted rational design of immunosuppressive compounds
Autor: Suhasini Iyer, Roland Buelow, Roger Lahana, Gérard Grassy, Abdelaziz Yasri, Bernard Calas, Michel Kaczorek, Jacky Woo, Robert Floc'h
Publikováno v: Nature Biotechnology. 16:748-752
We describe the rational design of immunosuppressive peptides without relying on information regarding their receptors or mechanisms of action. The design strategy uses a variety of topological and shape descriptors in combination with an analysis of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca00a1977cf7ffec8ba6ac03ecc4bab0
https://doi.org/10.1038/nbt0898-748
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10
Blood-brain barrier permeation models: discriminating between potential CNS and non-CNS drugs including P-glycoprotein substrates
Autor: Roger Lahana, Marc Adenot
Publikováno v: Journal of chemical information and computer sciences. 44(1)
The aim of this article is to present the design of a large heterogeneous CNS library (approximately 1700 compounds) from WDI and mapping CNS drugs using QSAR models of blood-brain barrier (BBB) permeation and P-gp substrates. The CNS library finally
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::336191367c08fbfd788170291cd11faf
https://pubmed.ncbi.nlm.nih.gov/14741033
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