@techreport{oai:ipsj.ixsq.nii.ac.jp:00184661,
 author = {吉野, 龍ノ介 and 安尾, 信明 and 萩原, 陽介 and 石田, 貴士 and 稲岡, 健 and 天野, 靖士 and 立石, 幸寛 and 大野, 一樹 and 生田目, 一寿 and 新美, 達也 and 折田, 正弥 and 北, 潔 and 秋山, 泰 and 関嶋, 政和 and Ryunosuke, Yoshino and Nobuaki, Yasuo and Yohsuke, Hagiwara and Takashi, Ishida and Daniel, Ken Inaoka and Yasushi, Amano and Yukihiro, Tateishi and Kazuki, Ohno and Ichiji, Namatame and Tatsuya, Niimi and Masaya, Orita and Kiyoshi, Kita and Yutaka, Akiyama and Masakazu, Sekijima},
 issue = {3},
 month = {Nov},
 note = {顧みられない熱帯病の一つとして知られているシャーガス病は，寄生原虫である Trypanosoma cruzi によって引き起こされる感染症で，米国南部や中南米などの約 20 カ国で影響を及ぼす病気である．ニフルチモックスとベンズニダゾールは，既存のシャーガス病治療薬として使用されているが，重大な副作用や慢性期に効果が薄いなどの欠点を有する．そこで我々は，シャーガス病の新たな医療薬候補の探索を目的とし，標的タンパク質であるスペルミジン合成酵素に対してドッキングシミュレーションや分子動力学シミュレーションなどのバーチャルスクリーニングを行い，in vitro 試験及び X 線構造解析による複合体構造の詳細な解析を行った．ドッキング結果の上位 176 化合物の in vitro 試験によって評価を行った結果，IC50 が 10 uM オーダーのヒット化合物が得られ，更に X 線構造解析によってヒット化合物と標的タンパク質の複合体構造を明らかにした．, Chagas disease is an infectious disease caused by the parasitic protozoan Trypanosoma cruzi (T.cruzi). This disease affects people from approximately 20 countries, particularly those living in the southern United States and Latin America, with 15 million people estimated to be infected. Nifurtimox and Benznidazole are currently available for treatment of Chagas disease. However, there are serious problems associated with their use, including adverse effects and limited effectiveness during the chronic phase of this disease. Thus, developing new therapeutic agents against T. cruzi infection is warranted. In order to develop a novel anti-trypanosoma drug, protein-ligand docking simulation was carried out to discover drug candidate. Furthermore, in vitro assay was conducted to determine IC50 of the selected compounds against a target protein. And protein-ligand complex structures were determined by X-ray analysis. We performed protein-ligand docking simulation for target protein active site using medicine-like compounds approximately 4,800,000 and evaluated medicine-like compounds with high docking score by in vitro assay. As a result, we obtained active compounds which inhibit target protein with values for IC50 of 10 uM order.},
 title = {インシリコスクリーニング技術を用いた抗シャーガス病の治療薬探索},
 year = {2017}
}