Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies

Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-c...

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Detalles Bibliográficos
Autor principal: Maier, Marta Silvia
Publicado: 1997
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0022152X_v34_n4_p1339_Robinsohn
http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_0022152X_v34_n4_p1339_Robinsohn
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spelling paper:paper_0022152X_v34_n4_p1339_Robinsohn2023-06-08T14:46:45Z Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies Maier, Marta Silvia Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-coplanar disposition relative to the plane of the macrocycle and this is reflected in the 1D nOe difference and 2D NOESY results. In porphyrins 1 and 3 the macrocycle is nearly planar while nonplanar saddle conformations were obtained for porphyrins 2 and 4. Fil:Maier, M.S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1997 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0022152X_v34_n4_p1339_Robinsohn http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-coplanar disposition relative to the plane of the macrocycle and this is reflected in the 1D nOe difference and 2D NOESY results. In porphyrins 1 and 3 the macrocycle is nearly planar while nonplanar saddle conformations were obtained for porphyrins 2 and 4.
author Maier, Marta Silvia
spellingShingle Maier, Marta Silvia
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
author_facet Maier, Marta Silvia
author_sort Maier, Marta Silvia
title Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
title_short Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
title_full Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
title_fullStr Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
title_full_unstemmed Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
title_sort conformational analysis of novel monoaryl substituted protoporphyrins by 1d noe, 2d noesy and molecular modeling studies
publishDate 1997
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0022152X_v34_n4_p1339_Robinsohn
http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn
work_keys_str_mv AT maiermartasilvia conformationalanalysisofnovelmonoarylsubstitutedprotoporphyrinsby1dnoe2dnoesyandmolecularmodelingstudies
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