Zobrazeno 1 - 10
of 95
pro vyhledávání: '"Alain Carpy"'
Publikováno v:
Chinese Journal of Chemistry. 21:1256-1262
The macrophage migration inhibitory factor has been implicated in a number of immune and inflammatory processes. MIF presents particular opportunities for drug design and development with potential therapeutic applications. Drug design strategies tak
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad6c20767bb8b9ded83edc4359ec5ea2
https://doi.org/10.1002/cjoc.20030211005
https://doi.org/10.1002/cjoc.20030211005
Publikováno v:
Medicinal Chemistry Research. 13:565-577
Phenylpyruvic acid derivatives are obtained by hydrolyzing aromatic Z/E azlactones. Keto tautomers interact with enzyme systems such as phenylalanine dehydrogenase or carboxypeptidase A whereas enol tautomers are potential inhibitors on the phenylpyr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bcbf2fd165212103d042d716732e5c2e
https://doi.org/10.1007/s00044-004-0102-y
https://doi.org/10.1007/s00044-004-0102-y
Autor:
Nathalie Marchand-Geneste, Alain Carpy
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 635:45-53
The thermal treatment of abietane skeleton diterpenoids yields a number of mono-, di- and tri-aromatic hydrocarbons. The aromatization process follows the thermal constraint and the degree of aromatization is higher with higher operating temperature.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e3a155b42acf031f040dd672297a37e
https://doi.org/10.1016/s0166-1280(03)00400-7
https://doi.org/10.1016/s0166-1280(03)00400-7
Autor:
Nathalie Marchand-Geneste, Alain Carpy
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 635:55-82
The results of a theoretical study concerning the thermal degradation of abietane skeleton diterpenoids which results in the fully aromatized retene product are presented. The semi-empirical AM1/UHF method has been used to elaborate all reaction path
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cd5f69a33b03bb52f626cc81f8949f3
https://doi.org/10.1016/s0166-1280(03)00401-9
https://doi.org/10.1016/s0166-1280(03)00401-9
Publikováno v:
Journal of Molecular Structure. 648:61-67
4-(4′-Acetoxybenzylidine)-2-methyl-5-oxazolone (Z-isomer) was synthesized, which upon basic hydrolysis yielded the unexpected 2-acetoxy-3-(p-hydroxyphenyl)-propenoic acid and treatment with acetic acid formed 2-acetoxy-3-(p-acetoxyphenyl)-propenoic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5249e2d849b9dcae16d6dafabce8e97e
https://doi.org/10.1016/s0022-2860(02)00572-0
https://doi.org/10.1016/s0022-2860(02)00572-0
Publikováno v:
Journal of Molecular Modeling. 8:65-72
Since the three-dimensional structure of the NMDA receptor has not been determined experimentally, indirect computer-assisted molecular modeling techniques appear to be of great usefulness in the characterization of the common pharmacophore of all NM
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d16601e158ac77199362ab6047e36db5
https://doi.org/10.1007/s00894-001-0067-4
https://doi.org/10.1007/s00894-001-0067-4
Autor:
Alain Carpy
Publikováno v:
SAR and QSAR in Environmental Research. 13:403-408
Computational chemistry and molecular modeling sites have proliferated on the Internet's world wide web. This paper provides present links to some of the more most useful ones for small organic molecule modeling, and offering free resources.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39c3ce13d57159b00ab791bb3104baa3
https://doi.org/10.1080/10629360290014278
https://doi.org/10.1080/10629360290014278
Publikováno v:
Polycyclic Aromatic Compounds. 19:37-49
Polycyclic Aromatic Compounds containing one sulfur atom i.e. Polycyclic Aromatic Sulfur Heterocycles (PASH) form a very diversified subclass of compounds and the number of compounds increases with alkylation. Nonsubstituted as well as mono- and dime
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7196ae4d62b38d1f0a861492102cabfa
https://doi.org/10.1080/10406630008034721
https://doi.org/10.1080/10406630008034721
Publikováno v:
SAR and QSAR in Environmental Research. 12:497-513
Shape complementarity, electrostatic and hydrophobic matching, were used to model drugs and receptors. From known experimental data on alpha1A/alpha2A-adrenergic ligands and alpha1A/alpha2A-adrenoceptors, a model for the ligand binding sites, based o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a46f7331a43c7d0cb5f22e29de5ac39d
https://doi.org/10.1080/10629360108039831
https://doi.org/10.1080/10629360108039831
Publikováno v:
Journal of Molecular Structure. 520:191-198
The synthesis of a tautomeric keto/enol mixture of o-nitrophenylpyruvic acid followed the acid hydrolysis of the azlactone of o-nitrobenzaldehyde was carried out. The structures of the two tautomeric forms were assigned by NMR spectroscopy. X-ray dif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cee1f4dd190836233801e65036bee44
https://doi.org/10.1016/s0022-2860(99)00323-3
https://doi.org/10.1016/s0022-2860(99)00323-3