Using QSAR Calculation of Purine derivatives in treatment to Parasitic diseases

Parasitic diseases can be controlled in more than 90% of patients with drugs.schistosoma mansoni is one of the common known Parasitic diseases which needed a better processing and design for new drugs. These drugs prerents the conrulsion from happening but go not treat the parasitic diseases. These drug are in various types. In this work, QSAR study has been done on purine derivatives in anti-parasitic drugs Genetic algorithm (GA), artificial neural network (ANN), stepwise multiple linear regression (stepwise-MLR) were used to create then on non-linear and linear QSAR models. For this purpose, ab initio geometry optimization performed at B3LYP level with a known basis set (6–31G). Hyperchem, Chemoffice and Gaussian 03W softwares were used for geometry optimization of the molecules and calculation of the quantum chemical descriptors. According to the obtained results, we find out GA-ANN model is the most favorable method toward the other statistical methods. General studies with GA-PCR methods and GA-PLS and Jack–knife in different layers and different goals following compounds have the lowest deviation from the best ingredients to make the drug are advised: 5 – 12 – 14 The best described as: IDET - X5sol – RhyDp - GATS2p - Mor20u - GGI8 - GATS6v