Author/Authors :
Jafari Sabet، Majid نويسنده Department of Pharmacology, School of Medicine, Iran University of Medical Sciences, Tehran, IR Iran , , Baratian، Ali نويسنده Department of Pharmacology, AJA University of Medical Sciences, Tehran, IR Iran , , Habibi، Mohammad نويسنده Department of Pharmacology, AJA University of Medical Sciences, Tehran, IR Iran , , Hadizadeh، Farzin نويسنده ,
Abstract :
Virtual screening (VS), as a computational technique, is being used widely in drug discovery research. One of the widely used VS methods is based on the docking of every ligand structure in a specific macromolecule. Multiple popular VS tools do not provide a graphic user interface (GUI). In the present study, we have developed a VS software: IranVScreen, which is an easily operable tool for medicinal chemists and pharmacologists to carry out multiple practical virtual screening tasks. The software was developed using Microsoft’s Visual Studio 2012 in visual basic and C++. It integrates Open Babel and Autodock Vina platforms. The software includes an easy to use Persian localized GUI. IranVScreen is composed of three application layers: application layer, class interface layer and software entity layer. Application layer consists of three functional nodes. The software entity layer includes the external tools. The GUI provides the required data to other modules and displays the results to the user. These results describe that IranVScreen provides a very intuitive all-in-one GUI to carry out multiple VS tasks in several mouse clicks with minimal requirement of skill. This software localized in Persian language surpasses the language barrier for novice users.
