Tool development for Prediction of pIC50 values from the IC50 values - A pIC50 value calculator

Order of Publishing in Issue: 
3
Volume :5
Issue :2
Regular
April, 2011
Page No: 
1104-1109
Authors: 
Chandrabose Selvaraj, Sunil Kumar Tripathi, Karnati Konda Reddy and Sanjeev Kumar Singh*
Address: 
CADD and Molecular Modeling Laboratory, Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu, India
Email-ID: 
skysanjeev@gmail.com

Half maximal inhibitory concentration(IC50) value measures the effectiveness of compoundinhibition towards biological or biochemicalutility. Quantitative measure indicates the quantityrequired for particular inhibitor to inhibit a givenbiological process (i.e. an enzyme, cell, cell receptoror microorganism) by half. Occasionally,it is also converted to the pIC50 scale (-log IC50),in which higher values indicate exponentiallygreater potency. These are the experimentalvalues which are predicted and coded inNanomolar (nM-10-9) and micromolar (?M-10-6 ). These IC50 values differs in wide rangeof molecules. So, there are Varity of ranges ofapplications in molecular modeling techniquesespecially 3D-QSAR, CoMFA, CoMSIA,Pharmacophore Mapping and many more applications.So, to predict the narrow value fromthe experimental value, the successful formulais described here to calculate the pIC50 value.As of now, no tool available as open sourcesoftware to provide the value of pIC50 fromIC50 values as pIC50 calculator. In this workwe developed the tool for the prediction ofpIC50 values from the IC50 in nanomolar andmicromolar using the JavaScript programminglanguage, which is available at the Sanjeevslabwebpage: http://www.skysanjeev.110mb.com/index.php?p=1_7_Tools

Keywords: 
pIC50, IC50, QSAR, Nanomolar, Micromolar
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