Zobrazeno 1 - 10
of 40
pro vyhledávání: '"F. Manaut"'
Publikováno v:
QSAR & Combinatorial Science. 13:281-284
The primary metabolism of caffeine (1,3,7-trimethylxanthine) is catalyzed by the isozyme P-450 1A2 which has toxicological relevance because it is involved in the activation of some chemicals to carcinogenic compounds. A theoretical model for the dem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e0f5b0cb7ac55454d453d7f820c8264e
https://doi.org/10.1002/qsar.19940130305
https://doi.org/10.1002/qsar.19940130305
Publikováno v:
Journal of Computational Chemistry. 14:922-927
A quantitative comparative analysis of molecular electrostatic potential (MEP) distributions generated from different wave functions was carried out. Wave functions were computed by using MNDO, AMl, STO-3G, 3-21G, 4-31G, 6-31G, 4-31G*, 6-31G*, and 6-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9a75cd923cc79522b0d499eca38df60
https://doi.org/10.1002/jcc.540140807
https://doi.org/10.1002/jcc.540140807
Autor:
J. A. Fontenla, T. Dot, Ferran Sanz, M. Honrubia, Francisco Orallo, Julio A. Seijas, J. M. Calleja, M. I. Cadavid, F. Manaut, M. C. Villaverde, María Magdalena Cid, María Isabel Loza, R. Dominguez
Publikováno v:
ChemInform. 25
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1952bf7ce162e311c2b50191b94ba4fe
https://doi.org/10.1002/chin.199407285
https://doi.org/10.1002/chin.199407285
Publikováno v:
ResearcherID
Two different strategies for finding the relative positions of maximum similarity between molecular electrostatic potential (MEP) distributions and for measuring their similarities were applied to several indole derivatives which are ligands of 5-hyd
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f8d5601120ee88052af37605b8b1b18
https://doi.org/10.1016/0166-1280(92)87172-v
https://doi.org/10.1016/0166-1280(92)87172-v
Publikováno v:
ResearcherID
Software was developed to find automatically the maximum electrostatic similarity between biomolecules by varying the relative positions and the conformations of one of them. This similarity is defined by means of the Spearman correlation coefficient
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47a531dce82662ab88521d9aa4889832
https://doi.org/10.1016/0166-1280(91)85195-d
https://doi.org/10.1016/0166-1280(91)85195-d
Autor:
María Magdalena Cid, J. M. Calleja, María Isabel Cadavid, Ferran Sanz, T. Dot, Julio A. Seijas, R. Dominguez, M. Honrubia, M. C. Villaverde, F. Manaut, María Isabel Loza, Francisco Orallo, J. A. Fontenla
Publikováno v:
Journal of pharmaceutical sciences. 82(11)
A series of cyproheptadine related compounds was synthesized and tested pharmacologically. In comparison with cyproheptadine, these compounds do not have a central ring and some contain groups other than N-methyl. Synthesis was carried out with low-v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85c124dacf3201d40da7d61d26ff48fe
https://pubmed.ncbi.nlm.nih.gov/8289119
https://pubmed.ncbi.nlm.nih.gov/8289119
Publikováno v:
ResearcherID
MEPSIM is a computational system which allows an integrated computation, analysis, and comparison of molecular electrostatic potential (MEP) distributions. It includes several modules. Module MEPPLA supplies MEP values for the points of a grid define
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cccd97921749eb39f87b043659c2bf5a
https://pubmed.ncbi.nlm.nih.gov/8377028
https://pubmed.ncbi.nlm.nih.gov/8377028
Autor:
María Isabel Loza, Ferran Sanz, I. Verde, Josep Rom Rodríguez, E. Castro, E. Raviña, J. Fueyo, M. Honrubia, Estrella Lozoya, José Angel Fontenla, F. Manaut, I. Cadavid, T. G-Ferreiro
Publikováno v:
Journal of pharmaceutical sciences. 82(5)
The antiserotoninergic activity at the serotonin receptor subtype 2 (5-HT2) of seven new 2-aminoethylbenzocyclanones was determined with respect to serotonin-induced contractions in rat aorta and compared with that of ketanserine (pA2 = 8.87). Compet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8be7281252e8e122414c15551d0fd5c8
https://pubmed.ncbi.nlm.nih.gov/8360829
https://pubmed.ncbi.nlm.nih.gov/8360829
Autor:
U, Fuhr, G, Strobl, F, Manaut, E M, Anders, F, Sörgel, E, Lopez-de-Brinas, D T, Chu, A G, Pernet, G, Mahr, F, Sanz
Publikováno v:
Molecular pharmacology. 43(2)
The inhibitory effect of 44 quinolone antibacterials and derivatives (common structure, 4-oxoquinoline-3-carboxylic acid) on cytochrome P450 isoform CYP1A2 activity was tested using human liver microsomes and caffeine 3-demethylation as a specific te
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::05fce80c3a5a9b43ece88d90e0cff8bf
https://pubmed.ncbi.nlm.nih.gov/8429824
https://pubmed.ncbi.nlm.nih.gov/8429824
Publikováno v:
Trends in QSAR and Molecular Modelling 92 ISBN: 9789072199133
Trends in QSAR and Molecular Modelling 92
Trends in QSAR and Molecular Modelling 92
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5873689d8e9faab58d34dba337895709
https://doi.org/10.1007/978-94-011-1472-1_29
https://doi.org/10.1007/978-94-011-1472-1_29
