Drug Designing: Open Access
Open Access
ISSN: 2169-0138
ISSN: 2169-0138
Mai Nagata, Norihito Kawashita, Yu-Shi Tian, Kousuke Okamoto, Teruo Yasunaga and Tatsuya Takagi.
Posters: Drug Design
Generally, many drug side effects are caused by the interactions between drugs and undesired proteins which are different from the target receptors of the drugs. Considering such backgrounds, we tried to find the undesired proteins interacting with the drugs, which can induce some side-effects. Our method is to explore the proteins which can bind drugs to various kinds of proteins whose 3D structures have been already revealed. Our system enables pharmaceutical scientists to analyze the binding mode between the drugs and proteins, resulting to identify the cause of the side effects, which we named �in Silico Reverse Targeting (ISRT)�. In this study, we applied the system in order to find the causative protein in Stevens-Johnson syndrome (SJS). From the ISRT results for SJS, just one protein, Mindin, which marked high docking score was obtained. This result indicates that the interactions between the causative drugs of SJS and Mindin lead to abnormal immune response and bring some impacts on the onset of SJS. On the other hand, it was considered that the causative drugs of SJS inhibited the function of the binding site between Ca 2+ and Mindin. However, the docking score was lower than the above-mentioned docking site, the possibility of binding to Ca 2+ binding site is still uncertain. Thus, although our method leaves room for improvement, it is possible to find proteins which interact with drugs. Therefore, our method can be applied to predict side effects.
Mai Nagata enrolled School of Pharmaceutical Sciences in 2007. Although she is young, she is a talented student and has given two presentations on her investigations, ?in Silico Reverse Targeting (ISRT)? whose improvement was noticed by herself. She is going to graduate this school next spring and get license to practice pharmacy.