상세 정보

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

Title 

Effects of hydroxysafflor yellow A on ALDH1: Inhibition kinetics and molecular dynamics simulation

Authors 

X ZhangD ShenZ R LuY ZhanN SiM M LiJ M YangH M ZhouY D ParkQ ZhangJinhyuk Lee

Publisher 

Elsevier

Issue Date 

2014

Citation 

Process Biochemistry, vol. 49, no. 10, pp. 1664-1672

Keywords 

ALDH1Docking simulationHydroxysafflor yellow AInhibition kineticsMolecular dynamicsNon-competitive inhibitor

Abstract 

Hydroxysafflor yellow A (HSYA) is a potent natural antioxidant that displays important neuroprotective activity. Inhibition of acetaldehyde dehydrogenase 1 (ALDH1) has attracted the attention of researchers due to its overexpression in several types of cancers. We studied the effects of HSYA on ALDH1 by evaluating the inhibitory kinetics based on its antioxidant properties and performing computational simulation integrating methods. HSYA reversibly inhibited human recombinant ALDH1 via non-competitive inhibition (Ki = 0.267 ± 0.024 mM). We also investigated the tertiary structural changes via measuring intrinsic and ANS-binding fluorescence. The results indicated that the inactivation induced by HSYA was associated with structural changes. To obtain further information, we simulated the 3D structure of ALDH1 and conducted computational docking simulations as well as molecular dynamics simulations. The results indicated that 4 rings of HSYA interact with several residues near the ALDH1 active site. Our study provides insight into the inhibition of ALDH1 accompanied by structural changes. Based on its ALDH1-inhibiting effect and its potential as a natural antioxidant, HSYA is a potential agent for treating ALDH1-associated cancers.

ISSN 

0032-9592

Link 

http://dx.doi.org/10.1016/j.procbio.2014.06.010

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)