상세 정보

underline
Metadata Downloads : dc(xml) or Excel
Cited 0 time in scopus ci

Title 

Pharmacophore-based 3D-QSAR of HIF-1 Inhibitors

Authors 

J Y ChungF A PashaS J ChoMi Sun WonJung Joon LeeKyeong Lee

Publisher 

Pharmaceutical Society of Korea

Issue Date 

2009

Citation 

Archives of Pharmacal Research, vol. 32, no. 3, pp. 317-323

Keywords 

3D-QSARCoMFACoMSIAdrug designHIF-1 inhibitorpharmacophore

Abstract 

(Aryloxyamino)benzoic acids and nicotinic/isonicotinic acids represent an important new class of small molecules that inhibit the activation of Hypoxia-Inducible Factor (HIF)-1. In order to understand the factors affecting inhibitory potency of HIF-1 inhibitors, 3 dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed. Since no receptor structure are available, the pharmacophore-based alignment was used for comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The CoMFA and CoMSIA models gave reasonable statistics (CoMFA: q2 = 0.564, r2=0.945; CoMSIA: q2 = 0.575, r2=0.929). Both CoMFA and CoMSIA results indicate that the steric interaction is a major factor, while CoMSIA suggests importance of hydrogen bonding. These findings about steric and H-bonding effects can be useful to design new inhibitors.

ISSN 

0253-6269

Link 

http://dx.doi.org/10.1007/s12272-009-1301-3

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2019-05-02


There are no files associated with this item.
qrcode

FusionCharts.
DSpace Software Coptright(c) 2010 MIT and Hewleft-Packard  /  KRIBB-REPOSITORY ( Email:jakim@kribb.re.kr)