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Current Trends in Biotechnology and PharmacyVol. 5 (2) 1104-1109 April 2011. ISSN 0973-8916 (Print), 2230-7303 (Online)1105the chemical assay is prepared and evaluated.Both nanomolar and micromolar describes thesame value but different due to the power ofconic (5). It exhibits how much of a meticuloussubstance/molecule is desirable to inhibitsome biological progression by 50% (6), andalso the quantitative measure indicate howmuch, a specific drug or other core is neededto hinder a given biological process (7). It isuniversally used to calculate a antagonist drugpotency in pharmacological study (8). It is alsoconverted to the pIC 50scale (-log IC 50) (13),in which higher values indicate exponentiallygreater potency (9, 10). The IC 50values arehaving variant values, which differ from oneligand to another (11), it depends on minimumeffective concentration of the drug towards thediseased protein (12). These values are broadin range, for molecular modeling and pharmacologicalfield the IC 50values are convertedin to pIC 50values (13). For this purpose thereis formula to convert the IC 50value to pIC 50value with representing the logarithmic values.pIC 50= log1/IC 50(1)pIC 50= -log IC 50(2)The above formula can change theIC 50values into wide range to pIC 50narrowrange. But the IC 50values are given innanomolar and micromolar scale (14-15) so,again the nanomolar values also should includedin the pIC 50.So the formula againchanges according to nanomolar value, this isthe formula for nanomolar conversion of IC 50values to pIC 50values (16).pIC 50= -log IC 50*10 -9 (3)These 1, 2 and 3 are basic formula for the conversionof the IC 50into pIC 50value innanomolar. The bioassay values are interpretedas different numbers, which differ from onecompound to another compound even in sameassay. pIC 50values is changing the IC 50valuestowards interpretation for all QSAR andPharmacophore analysis. Till date there is nosoftware or tool is available to convert IC 50topIC 50values. Here we have generated thescript and formula to create an algorithm forpIC 50as web based tool, for the molecularmodeling and pharmacological calculation. Asof now, this is first report on conversion ofIC 50value to pIC 50value as a web tool. Possibilitiesof generating the range of pIC 50valuesplaying the theoretical role, which distinguishthis from IC 50values.Materials and methodsJavaScript : JavaScript allows website designerswith moderate programming skills to add capabilitiesto their web pages, including instant userfeedback, advanced form processing, pop-up windows,advanced frame applications and muchmore. The basic elements of JavaScript languageand several techniques to take web pages to thenext level, reliable coding accuracy is required inWebPages. Here we code an algorithm based onJavaScript, which are embedded with functionalvalues, and additionally this tool will work bothonline and offline. scriptalgorithm place here (17, 18).Algorithm Coding : The algorithm has been generatedusing the JavaScript, with mathmaticalfunctions, using 3 formulas as nanomolar (nM)function as describe above. According to this algorithmdevelopment the input value will be acceptedin nanomolar and another for micromolaronly.Implementation of the Algorithm : The algorithmdeveloped as base of JavaScript, the abovementioned formula is detail source for developingthe tool for pIC 50calculator based on pro-Chandrabose Selvaraj et al
Current Trends in Biotechnology and PharmacyVol. 5 (2) 1104-1109 April 2011. ISSN 0973-8916 (Print), 2230-7303 (Online)1106gramming script. Here, the function ctxt() callsthe starting of program and the function codesfor xslt register all functions.ctxt: the XPath contextApart from that call for getting the element,the input box for the entering the IC 50values,and the document of web pages for gettingthe input element, are as follows.document.getElementById(‘ic’).value = “”;document.getElementById(‘pic’).value = “”;If there is no element with the given id,this function will return null value. Note, that DOMimplementation must have information that saysabout attribute of type ID. Attributes with thename ‘id’ are not type ID, unless defined in thedocument’s DTD. The ‘id’ attribute is defined tobe ID type in the common cases of XHTML,XUL, etc. Implementation do not know whetherattributes are of type ID or not, are expected toreturn as null value. Simply creating an elementand assigning an ID, which will not make the elementaccessible by ‘getElementById’. Oneneeds to insert the element first into the documenttree with insert before or a similar method,probably into a hidden div. Here its getting inputas a IC 50value and finally getting the output valuefrom the programming end, i.e., pIC 50value. Sothe input is given by the user and the output isgetting from the programming index.As input and output environment is setdown, to call for function for output, functionsare first-class objects, that means they can becreated dynamically and stored, passed and returnedjust like any other value, and declaring themathematical function math, which correspondsto a, (i.e., equal to formula calculation.)a = Math.log(a)/Math.log(10);a = 9 - a;It determines the mathematical functionslogarithmic value, which is divided by the base 10for checking the nanomolar value. The result of‘a’ is again equal to 9-a, which explicit the valueof nanomolar and closing the algorithm using thelanguage JavaScript and HTML coding. For detailof algorithm development see Fig.1 whichrepresents the flowchart for conversion of IC 50value to pIC 50value in nanomolar.Fig.1. Representing the flowchart for conversion ofIC 50value to pIC 50value in nanomolar.Getting the value from user, the algorithmconsiders the values as X (unknown values indecimal event), then accessing the value of X=A,here the A is consider the decimal event IC 50.Backend of algorithm accessed with (a=-logA),here the conversion of A value to logarithmic valueof decimal event take place with the base valueof log10. The power of conic set with negativevalue of 9 for nanomolar and negative value of 6for micromolar, so that power of conic, subtractedwith value displayed as value of pIC 50. This algorithmis kept in web based 110mb server inSanjeevslab domain namely and the webpageare constructed with the PHP coding.Results and DiscussionAt some stage in molecular modelingstudies (e.g. ligand based drug design) there areTool development for Prediction of pIC 50values
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(December 7-9, 2011)Venue: Karunya
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