Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Luc Morin-Allory"'
Autor:
Jean-François Delhomel, Stéphane Helleboid, Matthieu Daillet, Sébastien Daix, Robert Walczak, Mathieu Dubernet, Lionel Colliandre, Luc Morin-Allory, Sylvain Routier, Christophe Berini, Lucie Maingot, Nicolas Duguet, Marilyne Bourotte
Publikováno v:
ACS Medicinal Chemistry Letters. 4:504-508
A high throughput screen was developed to identify novel, nonsteroidal RORα agonists. Among the validated hit compounds, the 4-(4-(benzyloxy)phenyl)-5-carbonyl-2-oxo-1,2,3,4-tetrahydropyrimidine scaffold was the most prominent. Among the numerous an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::999534338a3b48bdc15d2d14558d712f
https://doi.org/10.1021/ml300471d
https://doi.org/10.1021/ml300471d
Publikováno v:
Journal of Chromatography A. 1218:2019-2032
In this series of papers, we use a systematic approach to investigate the factors responsible for enantio-recognition in supercritical fluid chromatography (SFC) on chiral stationary phases (CSPs). In this first part, the interactions contributing to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::818d082de75679a1581db01de41783c6
https://doi.org/10.1016/j.chroma.2010.11.084
https://doi.org/10.1016/j.chroma.2010.11.084
Autor:
Luc Morin-Allory, Philippe Chavatte, Christophe Marot, Eric Arnoult, Nicolas Baurin, Jean-Christophe Mozziconacci
Publikováno v:
Journal of Chemical Information and Computer Sciences. 44:276-285
Using classification (SOM, LVQ, Binary, Decision Tree) and regression algorithms (PLS, BRANN, k-NN, Linear), this paper details the building of eight 2D-QSAR models from a 266 COX-2 inhibitor training set. The predictive performances of these eight m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f26eb4d718c6ec539e28fdb4f870bed9
https://doi.org/10.1021/ci0341565
https://doi.org/10.1021/ci0341565
Publikováno v:
Supramolecular Chemistry. 15:251-260
The 2:1 γ-cyclodextrin:C60 inclusion complex was studied by molecular dynamics simulations with the AMBER package. Dummy atoms were used to incorporate the various electron densities on the fullerene bonds into the molecular mechanics scheme. Accord
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::59de7a5a5865ba46368a7c00b8a02e28
https://doi.org/10.1080/1061027031000140176
https://doi.org/10.1080/1061027031000140176
Publikováno v:
The Journal of Organic Chemistry. 66:689-692
The alpha-, beta-, and gamma-cyclodextrin (CyD) dimers have been studied by molecular mechanics (MM) and molecular dynamics (MD) calculations, and the relative stability of dimers and the involved molecular interactions have been determined. Three po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0eeb2f5dbefaa2412ddefb8416b4ef10
https://doi.org/10.1021/jo0008284
https://doi.org/10.1021/jo0008284
Publikováno v:
Chromatographia. 50:490-496
Neutral perhydrogenated and perfluorinated polyoxyethylene surfactants have been analyzed by reversed-phase liquid chromatography with methanol-water mobile phases in which the volume fraction of methanol was varied between 0.75 and 0.10. The amphiph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b029ca154542fd7eb28d2576d9791fa
https://doi.org/10.1007/bf02490747
https://doi.org/10.1007/bf02490747
Publikováno v:
Polymer International. 48:406-413
Molecular modelling studies have been undertaken to investigate the properties of poly(methylidene malonate 2.1.2). The influence of several factors has been evaluated: the size effect with three degrees of polymerization (n = 5, 20 and 40), the role
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7791bdf1711e0d02867e4ee50a5616ae
https://doi.org/10.1002/(sici)1097-0126(199905)48:5<406::aid-pi170>3.0.co
https://doi.org/10.1002/(sici)1097-0126(199905)48:5<406::aid-pi170>3.0.co
Autor:
Viaud Marie-Claude, Daniel Lesieur, Luc Morin-Allory, Pierre Renard, Philippe Chavatte, Gérald Guillaumet, Christophe Marot, André Michel
Publikováno v:
Journal of Medicinal Chemistry. 41:4453-4465
Conformational analysis was used to characterize the agonist pharmacophore for melatonin sheep brain receptor recognition and activation. The molecular geometry shared by all conformations of the selected active ligands was determined. Assuming that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::456ecaa5cbfda3acad620b6f89b58f92
https://doi.org/10.1021/jm980026p
https://doi.org/10.1021/jm980026p
Autor:
Philippe Vayer, Alban Arrault, Luc Morin-Allory, Pascal Bonnet, Juan Martinez-Sanz, Sylvain Lozano
Publikováno v:
Molecular informatics. 32(7)
Discarding drug-candidates with potential metabolism issues or with significant drug-drug interactions (DDI) is of major importance in drug discovery projects. When a compound is metabolized by catalytic enzymes, especially CYP450 3A4, the risk of DD
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4c41986ade7a575969b3b410bbf16c8
https://pubmed.ncbi.nlm.nih.gov/27481765
https://pubmed.ncbi.nlm.nih.gov/27481765
Autor:
Luc Morin-Allory, Bruno Pfeiffer, M.‐C. Viaud, Christophe Marot, G. Guillaumet, Marie-Claire Rettori, Corinne Comoy
Publikováno v:
Bioorganic and Medicinal Chemistry Letters
Bioorganic and Medicinal Chemistry Letters, Elsevier, 1996, 6 (10), pp.1077-1082. ⟨10.1016/0960-894X(96)00174-6⟩
Bioorganic and Medicinal Chemistry Letters, Elsevier, 1996, 6 (10), pp.1077-1082. ⟨10.1016/0960-894X(96)00174-6⟩
Synthesis of N -substituted-3,4-dihydro-2 H -1-benzopyran derivatives which have a potential affinity for the 5-HT 1A receptor is reported. The comparison between the experimental values of binding and the prediction of Q.S.A.R. studies is described.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b936123b99239c42d75f204be6b7d4e
https://doi.org/10.1016/0960-894x(96)00174-6
https://doi.org/10.1016/0960-894x(96)00174-6