Molecular research on a hypotensive herb formula and PPARα activation

Surflex-dock method was explored to study interactions between Qingxuanjiangya decoction (QXJYD in abbreviation, a famous hypotensive herb formula from Traditional Chinese Medicine prescription) and Peroxisome proliferators activated receptor-alpha (PPARα) for detecting its pharmacological effects a...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Yang, Xue-mei, Lai, Xin-mei, Li, Chi, Chen, Mei-mei
Formato: Articulo
Lenguaje:Inglés
Publicado: 2011
Materias:
Farmacia
PPARα agonists; qingxuanjiangya decoction; surflex-dock
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/8346
http://www.latamjpharm.org/resumenes/30/8/LAJOP_30_8_1_24.pdf
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-8346
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Farmacia
PPARα agonists; qingxuanjiangya decoction; surflex-dock
spellingShingle Farmacia
PPARα agonists; qingxuanjiangya decoction; surflex-dock
Yang, Xue-mei
Lai, Xin-mei
Li, Chi
Chen, Mei-mei
Molecular research on a hypotensive herb formula and PPARα activation
topic_facet Farmacia
PPARα agonists; qingxuanjiangya decoction; surflex-dock
description Surflex-dock method was explored to study interactions between Qingxuanjiangya decoction (QXJYD in abbreviation, a famous hypotensive herb formula from Traditional Chinese Medicine prescription) and Peroxisome proliferators activated receptor-alpha (PPARα) for detecting its pharmacological effects as well as to screen out PPARα agonists. First, 28 compounds with values of PPARα EC50 from reported were introduced as a test set to evaluate the docking accuracy according to the good validation between experimental values and surflex-dock scores (correlation coefficient R = 0.866, RMSD = 1.169 Å, similarity = 0.804). And then, 739 molecules from QXJYD were docked to PPARα by the validated way. The result showed 200 compounds from QXJYD had activity with PPARα and discovered that a flavones compound (moralbanone, extracted from folium mori) with an excellent docking score might be considered as a guide to design a new scaffold of PPARα agonists in the further study.
format Articulo
Articulo
author Yang, Xue-mei
Lai, Xin-mei
Li, Chi
Chen, Mei-mei
author_facet Yang, Xue-mei
Lai, Xin-mei
Li, Chi
Chen, Mei-mei
author_sort Yang, Xue-mei
title Molecular research on a hypotensive herb formula and PPARα activation
title_short Molecular research on a hypotensive herb formula and PPARα activation
title_full Molecular research on a hypotensive herb formula and PPARα activation
title_fullStr Molecular research on a hypotensive herb formula and PPARα activation
title_full_unstemmed Molecular research on a hypotensive herb formula and PPARα activation
title_sort molecular research on a hypotensive herb formula and pparα activation
publishDate 2011
url http://sedici.unlp.edu.ar/handle/10915/8346
http://www.latamjpharm.org/resumenes/30/8/LAJOP_30_8_1_24.pdf
work_keys_str_mv AT yangxuemei molecularresearchonahypotensiveherbformulaandpparaactivation
AT laixinmei molecularresearchonahypotensiveherbformulaandpparaactivation
AT lichi molecularresearchonahypotensiveherbformulaandpparaactivation
AT chenmeimei molecularresearchonahypotensiveherbformulaandpparaactivation
bdutipo_str Repositorios
_version_ 1764820488639479808

Ejemplares similares