alexa Abstract | Cluster and multi-linear regression analyses guided identification of molecular descriptors that account for cyclooxygenase activities

Journal of Chemical and Pharmaceutical Research
Open Access

OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Original Articles Open Access

Abstract

Cluster analysis and multiple linear regression analysis were employed to determine the distinct group of molecular descriptors that largely account for the biological activity of known inhibitors against cyclooxygenase (COX). In 157 out of 3227 molecular descriptors the nonselective COX inhibitors and COX-2 selective inhibitors form two distinct clusters. Multiple linear regression analysis returned three equations accounting for the pIC50 of the inhibitors against COX. For the pIC50 of nonselective COX inhibitors against COX-1, the molecular descriptors with the highest importance include GGI1, GGI10, SM1_Dzm and Eta_alpha_A. For the pIC50 of nonselective COX inhibitors against COX-2, molecular descriptors Ts, GGI1, SpMax3_Bhv and GGI10 were key to the observed activity. The observed variation in pIC50 of COX-2selective inhibitors against COX-2 were attributed toSpMax3_Bhp, SpMax_AEAdm, VE2_Be, SM5_L, Eta_betaS, G2, Eig04_EAed, H_DzZ, SM4_L and VE3_Bp. The results of the study can be used to understand the nature of COX inhibitors and to further facilitate the development of COX-2 selective inhibitors.

To read the full article Peer-reviewed Article PDF image

Author(s): Viktoria Shade L Vios and Junie B Billones

Keywords

COX inhibitors, COX-1, COX-2, Cluster Analysis, Multiple Linear Regression Analysis, QSAR, NSAID, DRAGON® Descriptors, cyclooxygenase activities

 
Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords