Windows Bioinformatics Platform: Approach for Molecular Docking in Drug Discovery [ READ ]
Ayad Ghany Ismaeel, Suhad Jihad Al-Dulaimy, Forat Falah Hasan
There are many reasons may cause effort useless, impossible or incapacitating in traditional drug discovery, e.g. the traditional way of development a new drugs takes 10-15 years and costs 400-800 millions US dollars, and complex diseases like cancer are regulated by large, interconnected networks with many pathways affecting cell proliferation, invasion, and drug resistance reaching to deadlock [18]. The fact that most of bioinformatics tools based on linux environment when try to dock using open source the Autodock Vina (a next generation of Autodock 4) in drug discovery and avoided working under windows platform (which is common in use) because from view of practice it has some gaps/drowbacks. This research offers the development of high-throughput method in both biology and chemistry that can be used the bioinformatics tools in drug discovery, as insilico method in drug discovery based on molecular docking using Windows platform, and solving all technical problems which contained it. The experimental result reveals the suggested approach gives windows platform results matching to linux platform, i.e. experimental result shows solving all the conjugation bugs/gaps to the windows platform when implementing the docking procedure.
Ayad Ghany Ismaeel, Suhad Jihad Al-Dulaimy, Forat Falah Hasan
There are many reasons may cause effort useless, impossible or incapacitating in traditional drug discovery, e.g. the traditional way of development a new drugs takes 10-15 years and costs 400-800 millions US dollars, and complex diseases like cancer are regulated by large, interconnected networks with many pathways affecting cell proliferation, invasion, and drug resistance reaching to deadlock [18]. The fact that most of bioinformatics tools based on linux environment when try to dock using open source the Autodock Vina (a next generation of Autodock 4) in drug discovery and avoided working under windows platform (which is common in use) because from view of practice it has some gaps/drowbacks. This research offers the development of high-throughput method in both biology and chemistry that can be used the bioinformatics tools in drug discovery, as insilico method in drug discovery based on molecular docking using Windows platform, and solving all technical problems which contained it. The experimental result reveals the suggested approach gives windows platform results matching to linux platform, i.e. experimental result shows solving all the conjugation bugs/gaps to the windows platform when implementing the docking procedure.
