Insilco prediction study by Carcinopred-EL and Swiss-ADME method for antiepileptic drug Carbamazepine and its interrelated impurities

Abstract

Impurity is the substance which is present any API drug or marketed formulations which is not at all considered as chemical entity. Carcinogenicity is the material which may come with the chemical entity but which leads to the changes of DNA or gene mutation by that may occur cancer. The objective of the study was to identify the physicochemical properties, pharmacokinetics, drug-likeness of the carbamazepine and their related impurities for further screening of impurities for their biosafety by following Carcinopred-EL (Carcinogenicity Prediction using Ensemble Learning methods) and Insilco Swiss-ADME. Swiss ADME tool was used to find out the in silico properties.  Drug release and/or dissolution from the dosage form is the only factor governing drug absorption. Carcinopred-EL prediction model is to concertize the structure of chemical weather it can produced carcinogenicity or not. In our study which have used as model antiepileptic drug such as carbamazepine and their related impurities. Computer simulations represent legitimate alternatives to experiments in that regard. The present impurities in the drug Bromobenzene, Nitro toluene and iminodibenzyl is producing carcinogenicity and Iminostilbene is produced toxic but not confirmed carcinogenicity. During drug development program chemical compound or drug molecules prior do the Insilco model for promising analysis for drug development process and impurities present the molecules. It helps to find out the impurities of physicochemical properties, pharmacokinetics, drug-likeness of the carbamazepine and their related impurities. These method helps in future to carry out their biosafety model and it will help to upgrade pharmaceutical monograph.