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

Selvaraj, Chandrabose; Tripathi, Sunil Kumar; Reddy, Karnati Konda; Singh, Sanjeev Kumar
April 2011
Current Trends in Biotechnology & Pharmacy;Apr2011, Vol. 5 Issue 2, p1104
Academic Journal
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 (μM- 10-6 ). 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 IC50 values as pIC50 calculator. In this work 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


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