in silico analysis of molecular interactions between commercially available drugs in Japan and proteins

了解药物与蛋白质之间的相互作用模式对于促进药物发现和药物副作用的研究具有重要意义。尽管实际上不可能通过实验测量所有的相互作用，但在电子计算机中，方法有望成为可行的替代方法。在这个项目中，我们研究了对此目的至关重要的新方法，并将其应用于评估与碳水化合物代谢密切相关的商用药物和蛋白质之间的相互作用。

Understanding of modes of interactions between drugs and proteins is important to promote drug discovery and studies on side-effects of drugs. Although it is not practically possible to measure all the interactions experimentally, in silico methods are expected to become viable alternatives. In this project, we have studied novel methodologies essential for this purpose, and applied them to evaluate the interactions between commercially available drugs and proteins which are closely related to carbohydrate metabolism.