Record Details

<i><span style="font-size:11.0pt;font-family: "Times New Roman";mso-fareast-font-family:"Times New Roman";mso-bidi-font-family: Mangal;mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language: HI" lang="EN-GB">In silico</span></i><span style="font-size:11.0pt;font-family: "Times New Roman";mso-fareast-font-family:"Times New Roman";mso-bidi-font-family: Mangal;mso-ansi-language:EN-GB;mso-fareast-language:EN-US;mso-bidi-language: HI" lang="EN-GB"> <span style="font-size:11.0pt;mso-bidi-font-size:12.0pt; font-family:"Times New Roman";mso-fareast-font-family:"Times New Roman"; mso-bidi-font-family:Mangal;mso-ansi-language:EN-GB;mso-fareast-language:EN-US; mso-bidi-language:HI" lang="EN-GB">exploration<span style="font-size:11.0pt; font-family:"Times New Roman";mso-fareast-font-family:"Times New Roman"; mso-bidi-font-family:Mangal;mso-ansi-language:EN-GB;mso-fareast-language:EN-US; mso-bidi-language:HI" lang="EN-GB"> of phenytoin binding site in two catalytic states of human P-glycoprotein models</span></span></span>

NOPR - NISCAIR Online Periodicals Repository

View Archive Info
 
 
Field Value
 
Title In silico exploration of phenytoin binding site in two catalytic states of human P-glycoprotein models
 
Creator Cleave A, Suneetha Susan
Panda, Roshni
Suresh, P K
 
Subject P-Glycoprotein
Multidrug resistance
Phenytoin
Efflux
Drug binding site
In silico
 
Description 7-13
P-glycoprotein (P-gp), an ATP-dependant
efflux pump transports a wide range of substrates across cellular membranes.
Earlier studies have identified drug efflux due to the over-expression of P-gp
as one of the causes for the resistance of phenytoin, an anti-epileptic drug
(AED). While no clear evidence exists on the specific characteristics of
phenytoin association with the human P-gp, this study employed structure-based
computational approaches to identify its binding site and the underlying
interactions. The identified site was validated with that of rhodamine, a
widely accepted reference and an experimental probe. Further, an in silico
proof-of-concept for phenytoin interactions and its decreased binding affinity
with the closed-state of human P-gp model was provided in comparison with other
AEDs. This is the first report to provide insights into the phenytoin binding
site and possibly better explain its efflux by P-gp.
 
Date 2013-02-23T11:18:36Z
2013-02-23T11:18:36Z
2013-02
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://hdl.handle.net/123456789/16058
 
Language en_US
 
Rights CC Attribution-Noncommercial-No Derivative Works 2.5 India
 
Publisher NISCAIR-CSIR, India
 
Source IJBB Vol.50(1) [February 2013]