Abstract:

The activities that lead to the molecular discovery of drugs are long, expensive, tedious, frustrating, and demoralizing. The long period it takes before manufacturers release a new drug to the public can attest to this. Fortunately, the advent of recent computational tools, including web-based and application software, has relieved this process. This tool has not just simplified the process, but it has also brought about more efficiency and effectiveness to the entire process of molecular ducking in recent times. This work will analyze the role computational molecular docking tools play in Molecular Docking and drug production. This paper shall highlight the stages the computational ducking system goes through vis-a-vis the old wet lab practices. In addition, look at the open problems, merits and demerits of the entire new processes, make some recommendations and suggest future technology trends.