A powerful new computational tool to identify the most promising pharmacological compounds and thus allow a much faster "screening". That is what has been developed thanks to the research carried out by Prof. Vittorio Limongelli's group of USI Faculty of Biomedical Sciences in collaboration with Prof. Siewert Marrink's group of University of Groningen (Netherlands). Published in open access mode in the important international , the study outlines a method able to accurately simulate the interaction between a series of drugs and their biological "targets". The development of novel drugs - drug design, in technical jargon - is a complex activity, which requires a long and intensive research process. The development of novel drugs The development of a new molecule able to interact effectively with specific biological targets, for a curative effect on the human organism, starts from the study of the targets themselves. The resulting information allows the development of the first test compounds, whose ability to bind with its molecular target is tested by computer simulations in order to identify those with the highest pharmacological potential, which are referred to as "lead compounds". The process typically requires the preparation and analysis of an inordinate number of compounds, in the order of tens of thousands, in an operation called "screening".
TO READ THIS ARTICLE, CREATE YOUR ACCOUNT
And extend your reading, free of charge and with no commitment.
