CADD and Molecular Modeling Laboratory, Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu, India
*For Correspondence -skysanjeev@gmail.com
Half maximal inhibitory concentration (IC50) value measures the effectiveness of compound inhibition towards biological or biochemical utility. Quantitative measure indicates the quantity required for particular inhibitor to inhibit a given biological process (i.e. an enzyme, cell, cell receptor or microorganism) by half. Occasionally, it is also converted to the pIC50 scale (−log IC50), in which higher values indicate exponentially greater potency. These are the experimental values which are predicted and coded in Nanomolar (nM-10−9) and micromolar (μM10−6). These IC50 values differs in wide range of molecules. So, there are Varity of ranges of applications in molecular modeling techniques especially 3D-QSAR, CoMFA, CoMSIA, Pharmacophore Mapping and many more applications. So, to predict the narrow value from the experimental value, the successful formula is described here to calculate the pIC50 value. As of now, no tool available as open source software to provide the value of pIC50 from IC values as pICcalculator In this work 5050. we developed the tool for the prediction of pIC50 values from the IC50 in nanomolar and micromolar using the JavaScript programming language, which is available at the Sanjeevslab webpage: http://www.skysanjeev.110mb.com/index.php?p=1_7_Tools
pIC50, IC50, QSAR, Nanomolar, Micromolar