[ Pharmaceutical Sciences Asia - ONLINE ]
E-ISSN 2586-8470
[ Journal Abbreviation: Pharm.Sci.Asia ]
Mahidol University Journal of Pharmaceutical Sciences
  FORMER NAME   "Mahidol University Journal of Pharmaceutical Sciences" Published Since 1974

 
Abstracts

Pharm Sci Asia ; 40(3),
 

QSAR Analysis of Chromone Derivatives as HIV-1 Protease Inhibitors

W. Samee and J. Ungwitayatorn*

-


Quantitative structure-activity relationship (QSAR) of HIV-1 protease inhibitory activity of chromone derivatives was developed using multiple linear regression (MLR) analysis. The QSAR model generated using binding energies of chromones to the enzyme as single descriptor was of high statistical quality and predictive potential (cross-validated r2 or q2 = 0.941, non cross-validated r2 = 0.943, SPRESS = 6.256). The predictive abilities was comparable to those of previously studied 3D-QSAR (comparative molecular field analysis, CoMFA) model. The predicted (calculated) and experimental inhibitory activities were very well correlated. The resulting QSAR model can be used as a preliminary tool for screening purpose before costly and time-consuming synthesis.


Keyword:

QSAR, MLR, HIV-1 protease, Chromone derivatives, Docking




Download full paper (PDF File size: 1,489.62 KB.)





Vol.40
No.4
October - December 2013

See other volume

 


Vol.40
No.3
July - September 2013

See other volume

 


Vol.40
No.2
April - June 2013

See other volume

 


Vol.40
No.1
January - March 2013

See other volume

 
 
 

Home
Aims and Scope
Editorial Board
Publication Ethics
Instruction to Authors
Announcement
All Volumes & Issues
Submit Online
Contact us
   
Search
   
Faculty of Pharmacy Mahidol University
Mahidol University



Pharmaceutical Sciences Asia by Faculty of Pharmacy, Mahidol University, Thailand is licensed under CC BY-NC-ND 4.0

    Copyright © 2017-2024
    Faculty of Pharmacy, Mahidol University, THAILAND
 

We use Cookies

This site uses cookies to personalise your experience and analyse site traffic. By Clicking ACCEPT or continuing to browse the site you are agreeing to our use of cookies.