Development of comprehensive calculation method of HLA-peptide affinity and application to elucidation of the pathogenesis of Behcet's disease

• Project/Area Number: 16K00397
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Life / Health / Medical informatics
• Research Institution: Kagoshima University (2018); Nagasaki University (2016-2017)
• Principal Investigator: Ishikawa Takeshi 鹿児島大学, 理工学域工学系, 教授 (80505909)
• Co-Investigator(Kenkyū-buntansha): 野口 博司 日本薬科大学, 薬学部, 教授 (60126141) ; 竹内 二士夫 東京聖栄大学, 公私立大学の部局等, 教授 (70154979)
• Project Period (FY): 2016-04-01 – 2019-03-31
• Project Status: Completed (Fiscal Year 2018)
• Budget Amount: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000); Fiscal Year 2018: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2016: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: ヒト主要組織適合抗原 / ベーチェット病 / エピトープ予測 / 結合親和性予測 / ドッキング計算 / フラグメント分子軌道法 / 分子動力学計算 / ヒト主要組織適合抗 / エピトープ探索 / 計算化学 / 構造法 / 生体分子 / 免疫学

Outline of Final Research Achievements

In this study, we developed a method to predict the binding affinity of human leukocyte antigen (HLA) and peptide fragments. While the previous methods use experimental affinity databases of the peptides, our methods can predict the binding affinity only using the structural information of HLA. Therefore, it is an important feature of our method that prediction is possible even for HLA alleles with few experimental data. In addition, the relative binding affinity of “AAAAAIFVI”, which is considered as a candidate for an antigenic peptide of Behcet's disease (BD), was high for HLA-B*51 (this HLA is correlated with BD), and was low for HLA-B*52 (this HLA is not correlated with BD). These results indicate the possibility that AAAAAIFVI is an antigenic peptide of BD.

Academic Significance and Societal Importance of the Research Achievements

本研究で開発したHLAとペプチド断片の結合親和性の予測法は、特定のHLAに結合するペプチドの網羅的探索に利用可能であり、他のHLA関連疾患への応用も期待される。例えば、リウマチや糖尿病といった生活習慣病、様々な自己免疫疾患、癌などもHLAと有意な相関を示すことが知られている。さらに、ウイルス感染における免疫応答の個人差や、抗原提示を利用したペプチドワクチンの開発などにおいても、HLAとペプチドの親和性が重要な意味を担っている。今後、結合親和性の予測精度を向上させることができれば、これらを含む様々な医学・薬学研究に貢献することが期待される。

Research Products

• [Journal Article] A designer molecular chaperone against transmissible spongiform encephalopathy slows disease progression in mice and macaques (2019)
  • Author(s): Yamaguchi Keiichi、Kamatari Yuji O.、Ono Fumiko、Shibata Hiroaki、Fuse Takayuki、Elhelaly Abdelazim Elsayed、Fukuoka Mayuko、Kimura Tsutomu、Hosokawa-Muto Junji、Ishikawa Takeshi、Tobiume Minoru、Takeuchi Yoshinori、Matsuyama Yutaka、Ishibashi Daisuke、Nishida Noriyuki、Kuwata Kazuo
  • Journal Title: Nature Biomedical Engineering Volume: 3 Issue: 3 Pages: 206-219
  • DOI: 10.1038/s41551-019-0349-8
  • Peer Reviewed
• [Journal Article] Prediction of ALK mutations mediating ALK-TKIs resistance and drug re-purposing to overcome the resistance (2019)
  • Author(s): Okada Koutaroh、Araki Mitsugu、Sakashita Takuya、Ma Biao、Kanada Ryo、Yanagitani Noriko、Horiike Atsushi、Koike Sumie、Oh-hara Tomoko、Watanabe Kana、Tamai Keiichi、Maemondo Makoto、Nishio Makoto、Ishikawa Takeshi、Okuno Yasushi、Fujita Naoya、Katayama Ryohei
  • Journal Title: EBioMedicine Volume: 41 Pages: 105-119
  • DOI: 10.1016/j.ebiom.2019.01.019
  • NAID: 120006892063
  • Peer Reviewed / Open Access
• [Journal Article] Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis (2019)
  • Author(s): S. Kongkaew, T. Rungrotmongkol, C. Punwong, H. Noguchi, F. Takeuchi, N. Kungwan, P. Wolschann, S. Hannongbua;
  • Journal Title: Scientific Reports Volume: 9(1) Issue: 1 Pages: 745-756
  • DOI: 10.1038/s41598-018-37038-z
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Development of analysis toolkit to visualize interaction energies generated by fragment molecular orbital calculations (2018)
  • Author(s): Takaki Tokiwa, Shogo Nakano, Yuta Yamamoto, Takeshi Ishikawa, Sohei Ito, Vladimir Sladek, Kaori Fukuzawa, Yuji Mochizuki, Hiroaki Tokiwa, Fuminori Misaizu, and Yasuteru Shigeta
  • Journal Title: J. Chem. Info. Model Volume: 59(1) Issue: 1 Pages: 25-30
  • DOI: 10.1021/acs.jcim.8b00649
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] RI-MP3 calculations of biomolecules based on the fragment molecular orbital method (2018)
  • Author(s): Ishikawa Takeshi、Sakakura Kota、Mochizuki Yuji
  • Journal Title: Journal of Computational Chemistry Volume: 39 Issue: 24 Pages: 1970-1978
  • DOI: 10.1002/jcc.25368
  • Peer Reviewed / Open Access
• [Journal Article] Fragment Molecular Orbital Study of the Interaction between Sarco/Endoplasmic Reticulum Ca2+-ATPase and its Inhibitor Thapsigargin toward Anti-Malarial Development (2018)
  • Author(s): Ishikawa Takeshi、Mizuta Satoshi、Kaneko Osamu、Yahata Kazuhide
  • Journal Title: The Journal of Physical Chemistry B Volume: 122 Issue: 33 Pages: 7970-7977
  • DOI: 10.1021/acs.jpcb.8b04509
  • Peer Reviewed / Open Access
• [Journal Article] Identification of alprenolol hydrochloride as an anti-prion compound using surface plasmon resonance imaging (2018)
  • Author(s): Y. Miyazaki, T. Ishikawa, Y. O. Kamatari, T. Nakagaki, H. Takatsuki, D. Ishibashi, K. Kuwata, N. Nishida*, R. Atarashi
  • Journal Title: Mol. Neurobiol Volume: 印刷中 Issue: 1 Pages: 367-377
  • DOI: 10.1007/s12035-018-1088-7
  • Peer Reviewed
• [Journal Article] α-Keto tetrahydrofuran lignan glucosides from the Bangladeshi medicinal plant Terminalia citrina inhibit estradiol (E2) induced proliferation in cancer cells (2018)
  • Author(s): Muhit Md. Abdul、Umehara Kaoru、Noguchi Hiroshi
  • Journal Title: Phytochemistry Volume: 145 Pages: 161-167
  • DOI: 10.1016/j.phytochem.2017.10.011
  • Peer Reviewed
• [Journal Article] Age of donor of human mesenchymal stem cells affects structural and functional recovery after cell therapy following ischaemic stroke (2017)
  • Author(s): Yamaguchi Susumu、Horie Nobutaka、Satoh Katsuya、Ishikawa Takeshi、Mori Tsuyoshi、Maeda Hajime、Fukuda Yuhtaka、Ishizaka Shunsuke、Hiu Takeshi、Morofuji Yoichi、Izumo Tsuyoshi、Nishida Noriyuki、Matsuo Takayuki
  • Journal Title: Journal of Cerebral Blood Flow & Metabolism Volume: 印刷中 Issue: 7 Pages: 1199-1212
  • DOI: 10.1177/0271678x17731964
  • Peer Reviewed
• [Journal Article] Ab initio quantum chemical calculation of electron density, electrostatic potential, and electric field of biomolecule based on fragment molecular orbital method (2017)
  • Author(s): Ishikawa Takeshi
  • Journal Title: International Journal of Quantum Chemistry Volume: 118 Issue: 8
  • DOI: 10.1002/qua.25535
  • Peer Reviewed
• [Journal Article] Structure-based drug discovery for combating influenza virus by targeting the PA?PB1 interaction (2017)
  • Author(s): Watanabe Ken、Ishikawa Takeshi、Otaki Hiroki、Mizuta Satoshi、Hamada Tsuyoshi、Nakagaki Takehiro、Ishibashi Daisuke、Urata Shuzo、Yasuda Jiro、Tanaka Yoshimasa、Nishida Noriyuki
  • Journal Title: Scientific Reports Volume: 7 Issue: 1 Pages: 9500-9500
  • DOI: 10.1038/s41598-017-10021-w
  • NAID: 120006987424
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Computational study of the competitive binding of valproic acid glucuronide and carbapenem antibiotics to acylpeptide hydrolase (2017)
  • Author(s): Takeshi Ishikawa, Hiroki Otaki, Satoshi Mizuta, Masami Kuriyama, Osamu Onomura, Norihide Higuchi, Mihoko N. Nakashima, Mikiro Nakashima and Kaname Ohyama
  • Journal Title: Drug Metabolism and Pharmacokinetics Volume: 印刷中 Issue: 4 Pages: 201-207
  • DOI: 10.1016/j.dmpk.2017.04.002
  • NAID: 210000159704
  • Peer Reviewed
• [Journal Article] Design and synthesis of benzoacridines as estrogenic and anti-estrogenic agents (2017)
  • Author(s): Torikai Kohei、Koga Rintaro、Liu Xiaohui、Umehara Kaoru、Kitano Tatsuya、Watanabe Kenji、Oishi Tohru、Noguchi Hiroshi、Shimohigashi Yasuyuki
  • Journal Title: Bioorganic & Medicinal Chemistry Volume: 25 Issue: 20 Pages: 5216-5237
  • DOI: 10.1016/j.bmc.2017.07.067
  • Peer Reviewed
• [Journal Article] Naphthalene glycosides in the Thai medicinal plant Diospyros mollis (2017)
  • Author(s): Suwama Takaharu、Watanabe Keisuke、Monthakantirat Orawan、Luecha Prathan、Noguchi Hiroshi、Watanabe Kenji、Umehara Kaoru
  • Journal Title: Journal of Natural Medicines Volume: 72 Issue: 1 Pages: 220-229
  • DOI: 10.1007/s11418-017-1134-1
  • NAID: 40021456072
  • Peer Reviewed
• [Journal Article] 2-Alkylquinolone alkaloid biosynthesis in the medicinal plantEvodia rutaecarpainvolves collaboration of two novel type III polyketide synthases (2017)
  • Author(s): Matsui Takashi、Kodama Takeshi、Mori Takahiro、Tadakoshi Tetsuhiro、Noguchi Hiroshi、Abe Ikuro、Morita Hiroyuki
  • Journal Title: Journal of Biological Chemistry Volume: 292 Issue: 22 Pages: 9117-9135
  • DOI: 10.1074/jbc.m117.778977
  • NAID: 120006559815
  • Peer Reviewed
• [Journal Article] Identification of Small Molecule Inhibitors for Influenza A Virus Using In Silico and In Vitro Approaches, (2017)
  • Author(s): Makau JN, Watanabe K, Ishikawa T, Mizuta S, Hamada T, Kobayashi N, Nishida N
  • Journal Title: PLoS ONE Volume: 12 Issue: 3 Pages: e0173582-e0173582
  • DOI: 10.1371/journal.pone.0173582
  • NAID: 120006987539
  • Peer Reviewed / Open Access
• [Journal Article] Origin of Stereoselectivity and Substrate/ligand Recognition in an FAD-Dependent R-Selective Amine Oxidase (2016)
  • Author(s): Nakano S, Yasukawa K, Tokiwa T, Ishikawa T, Ishitsubo E, Matsuo N, Ito S, Tokiwa H, Asano Y
  • Journal Title: J. Phys. Chem. Volume: 120 Issue: 41 Pages: 10736-10743
  • DOI: 10.1021/acs.jpcb.6b09328
  • Peer Reviewed
• [Journal Article] Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation (2016)
  • Author(s): Ishikawa T
  • Journal Title: J. Comput. Aided Mol. Des. Volume: 30 Issue: 10 Pages: 875-887
  • DOI: 10.1007/s10822-016-9967-3
  • Peer Reviewed
• [Journal Article] Structure-Based Drug Discovery for Prion Disease Using a Novel Binding Simulation. (2016)
  • Author(s): Ishibashi D, Nakagaki T, Ishikawa T, Atarashi R, Watanabe K, Cruz FA, Hamada T, Nishida N.
  • Journal Title: EBioMedicine. Volume: 9 Pages: 238-249
  • DOI: 10.1016/j.ebiom.2016.06.010
  • NAID: 120006987627
  • Peer Reviewed / Open Access
• [Journal Article] A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-inhibitor Interactions (2016)
  • Author(s): Nongluk Sriwilaijaroen, Sadagopan Magesh, Akihiro Imamura, Hiromune Ando, Hideharu Ishida, Miho Sakai, Erika Ishitsubo, Takanori Hori, Setsuko Moriya, Takeshi Ishikawa, Kazuo Kuwata, Takato Odagiri, Masato Tashiro, Hiroaki Hiramatsu, Kenji Tsukamoto, Taeko Miyagi, Hiroaki Tokiwa, Makoto Kiso, and Yasuo Suzuki
  • Journal Title: J.Med.Chem. Volume: 59 Issue: 10 Pages: 4563-4577
  • DOI: 10.1021/acs.jmedchem.5b01863
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis (2016)
  • Author(s): Tsuyoshi Yamamoto, Yuta Tsunematsu, Kodai Hara, Tomohiro Suzuki, Shinji Kishimoto, Hirokazu Kawaguchi, Hiroshi Noguchi, Hiroshi Hashimoto, Yi Tang, Kinya Hotta, & Kenji Watanabe
  • Journal Title: Angew Chem Int Ed Engl Volume: 印刷中 Issue: 21 Pages: 6207-6210
  • DOI: 10.1002/anie.201600940
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Five furofuranone lignan glucosides from Terminalia citrina inhibit in vitro E2-enhanced breast cancer cell proliferation (2016)
  • Author(s): Muhit Md A, Umehara K, Noguchi H
  • Journal Title: Fitoterapia Volume: 113 Pages: 74-79
  • DOI: 10.1016/j.fitote.2016.07.004
  • Peer Reviewed
• [Journal Article] Furofuran Lignan Glucosides with Estrogen-Inhibitory Properties from the Bangladeshi Medicinal Plant Terminalia citrina (2016)
  • Author(s): Md. Abdul Muhit, Kaoru Umehara, Kanami Mori-Yasumoto, Hiroshi Noguchi†
  • Journal Title: Journal of Natural Products Volume: 79 Issue: 5 Pages: 1-10
  • DOI: 10.1021/acs.jnatprod.5b01042
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa (2016)
  • Author(s): X. Yang, T. Matsui, T. Kodama, T. Mori, X. Zhou, F. Taura, H. Noguchi, I. Abe, H. Morita
  • Journal Title: FEBS J Volume: 283 Issue: 6 Pages: 1088-1106
  • DOI: 10.1111/febs.13654
  • NAID: 120006559813
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] PRPP合成酵素欠損症 (2016)
  • Author(s): 川杉要, 竹内不士夫
  • Journal Title: 日本臨床 Volume: 74 Pages: 391-395
  • Peer Reviewed
• [Presentation] 分子動力学計算によるIgGアプタマーの構造特性の解析 (2019)
  • Author(s): 石井清一郎, 吉田尚恵, 増川恵介, 矢田部優貴, 秋田一雅, 猪股恵美礼, 石川岳志, 坂本泰一, 山岸賢司
  • Organizer: 日本化学会第99回春季大会
• [Presentation] FMOプログラム「PAICS」の開発と生命科学分野への応用 (2019)
  • Author(s): 石川岳志
  • Organizer: 第18回FMO研究会
  • Invited
• [Presentation] 抗体に結合する化学修飾アプタマーの熱力学的解析 (2019)
  • Author(s): 矢田部優貴，吉田尚恵，関口真裕，秋田一雅，猪股恵美礼，中村義一，野村祐介，石川岳志，山岸賢司，坂本泰一
  • Organizer: 日本分子生物学会
• [Presentation] Efficient implementation of FMO-RI-MP3 method in PAICS (2019)
  • Author(s): T. Ishikawa, K. Sakakura, Y. Mochizuki
  • Organizer: 2018年CBI学会
• [Presentation] Data Analysis Toolkits of Fragment Molecular Orbital Calculations to Visualize Interaction Energies Using the GUI Plugin for PyMOL (2019)
  • Author(s): T. Tokiwa, S. Nakano, Y. Yamamoto, T. Ishikawa, S. Ito, K. Fukuzawa, Y. Mochizuki, H. Tokiwa, Y. Shigeta
  • Organizer: 2018年CBI学会
• [Presentation] インフルエンザウイルス複製を標的とした蛋白質－蛋白質相互作用阻害剤の開発 (2019)
  • Author(s): 渡邊健, J. N. Makau, 石川岳志, 大滝大樹, 水田賢志, 中垣岳大, 石橋大輔, 浦田秀造, 安田二朗, 西田教行
  • Organizer: 第55回日本ウイルス学会九州支部総会
• [Presentation] Identification of influenza A virus inhibitors targeting viral nucleoprotein, ○J. N. Makau (2019)
  • Author(s): K. Watanabe, T. Ishikawa, S. Mizuta, N. Kobayashi, N. Nishida
  • Organizer: 第55回日本ウイルス学会九州支部総会
• [Presentation] in silicoプリオン病創薬における薬効特異性の評価 (2019)
  • Author(s): 石橋大輔, 中垣岳大, 石川岳志, 水田賢志, 濱田剛, 西田教行
  • Organizer: 生体機能と創薬シンポジウム2018
• [Presentation] 新規作用機序をもつ抗インフルエンザウイルス薬の開発 (2018)
  • Author(s): 渡辺健, 石川岳志, 大滝大樹, 水田賢志, 濱田剛, 浦田秀造, 安田二朗, 田中義正, 西田教行
  • Organizer: 日本薬学会第138年会
• [Presentation] フォーカストセッション「計算化学による感染症研究の最前線」, 長崎大学における感染症インシリコ創薬の試み (2017)
  • Author(s): 石川岳志
  • Organizer: 2017年CBI学会
• [Presentation] Efficient calculation of electrostatic potential of biomolecule based on fragment molecular orbital method (2017)
  • Author(s): T. Ishikawa
  • Organizer: 2017年CBI学会
• [Presentation] Structure and Dynamics of RNA Aptamer to Human Immunoglobulin G (2017)
  • Author(s): H. Yoshida, M. Sekiguchi, K. Masukawa, S. Yamazaki, E. Inomata, K. Akita, T. Ishikawa, T. Sakamoto, K. Yamagishi
  • Organizer: 2017年CBI学会
• [Presentation] Theoretical study on the structure and dynamics of RNA aptamer to human immunoglobulin G (2017)
  • Author(s): 吉田尚恵, 関口真裕, 秋田一雅, 猪股恵美礼, 石川岳志, 坂本泰一, 山岸賢司
  • Organizer: 日本化学会東北支部大会
• [Presentation] YIGL motif in Ebola virus VP40 regulates virus-like particle production (2017)
  • Author(s): S. Urata, T. Ishikawa, J. Yasuda
  • Organizer: 9th International Filovirus Symposium
  • Int'l Joint Research
• [Presentation] FMO-QM/MM分子動力学計算と量子化学による創薬研究 (2017)
  • Author(s): 石川岳志
  • Organizer: 第387回CBI学会研究講演会
  • Invited
• [Presentation] IN SILICO DESIGN OF RNA APTAMER TO HUMAN IMMUNOGLOBULIN G (2017)
  • Author(s): H. Yoshida, M. Sekiguchi, K. Akita, E. Inomata, T. Ishikawa, T. Sakamoto, K. Yamagishi
  • Organizer: International Symposium on Advances in Synthetic and Medicinal Chemistry
  • Int'l Joint Research
• [Presentation] Structure-based discovery of inhibitors targeting influenza A virus nucleoprotein (2017)
  • Author(s): J. N. Makau, K. Watanabe, T. Ishikawa, S. Mizuta, T. Hamada, N. Kobayashi, N. Nishida
  • Organizer: The 17th International congress of virology
• [Presentation] 分子シミュレーションを用いたRNAアプタマーの設計手法の開発 (2017)
  • Author(s): 吉田尚恵, 関口真裕, 秋田一雅, 猪股恵美礼, 野村祐介, 石川岳志, 坂本泰一, 山岸賢司
  • Organizer: 第17回日本蛋白質科学会
• [Presentation] Targeting viral nucleoprotein in search for new influenza A virus inhibitors (2017)
  • Author(s): J. N. Makau, K. Watanabe, T. Ishikawa, S. Mizuta, T. Hamada, N. Kobayashi, N. Nishida
  • Organizer: The 13th Nagasaki-Singapore Medical Symposium / Leading Program International Symposium 2017
• [Presentation] 抗マラリア化合物の開発をめざしたフラグメント分子軌道法によるSERCAとThapsigarginの分子間相互作用解析 (2017)
  • Author(s): 石川岳志、水田賢志、金子修、矢幡一英
  • Organizer: 日本薬学会第137年会
  • Place of Presentation: 仙台国際センター（仙台市, 宮城県）
• [Presentation] バルプロン酸とカルパペネム系抗菌薬の相互作用機序の計算化学的考察 (2017)
  • Author(s): 水田賢志, 石川岳志, 大滝大樹, 栗山正巳, 小野村治, 樋口則英, 中嶋 弥穂子, 中嶋 幹郎, 大山 要
  • Organizer: 日本薬学会第137年会
  • Place of Presentation: 仙台国際センター（仙台市, 宮城県）
• [Presentation] 新たな作用機序をもつ抗インフルエンザウイルス薬の開発 (2017)
  • Author(s): 渡辺健, 石川岳志, 水田賢司, 中垣岳大, 大滝大樹, 濱田剛, 田中正義, 西田教行
  • Organizer: 日本薬学会第137年会
  • Place of Presentation: 仙台国際センター（仙台市, 宮城県）
• [Presentation] Dense Genotyping of Immune Related Loci in a Multi-Ethnic Behcet's Disease Cohort Identifies Genetic Associations in a Long Noncoding RNA near QSOX2, RASIP1/FUT2, and IL12A-AS1 (2016)
  • Author(s): Renauer P, Coit P, Hughes T, Ognenovski M, Ergen A, Alpsoy E, Salvarani C, Casali B, Koetter I, Zhernakova A, Wijmenga C, Takeuchi F, Harihara S, Kaburaki T, Song YW, Sawalha AH, 他全30名
  • Organizer: 80th Annual Scientific Meeting of American College of Rheumatology
  • Place of Presentation: ワシントン国際会議場（ワシントン, USA）
  • Year and Date: 2016-11-11
  • Int'l Joint Research
• [Presentation] 分子動力学計算を用いた修飾RNAアプタマーの構造解析 (2016)
  • Author(s): 関口真裕，小野間優希，吉田尚恵，石川岳志，秋田一雅，猪股恵美礼，坂本泰一，山岸賢司
  • Organizer: 日本核酸医薬学会第2回年会
  • Place of Presentation: 東京理科大学葛飾キャンバス（葛飾区, 東京都）
  • Year and Date: 2016-11-05
• [Presentation] Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation (2016)
  • Author(s): T. Ishikawa
  • Organizer: 2016年CBI学会
  • Place of Presentation: タワーホール船堀（江戸川区, 東京都）
  • Year and Date: 2016-10-25
• [Presentation] Molecular Simulation Analysis of RNA Aptamer to Human Immunoglobulin G (2016)
  • Author(s): H. Yoshida, T. Fukaya, M. Sekiguchi, E. Inomata, K. Akita, T. Ishikawa, T. Sakamoto, K. Yamagishi
  • Organizer: 2016年CBI学会
  • Place of Presentation: タワーホール船堀（江戸川区, 東京都）
  • Year and Date: 2016-10-25
• [Presentation] Inhibition Mechanisms of Carbapenem Antibiotics on Acylpeptide Hydrolase: Docking Simulation Study (2016)
  • Author(s): H. Otaki, T. Ishikawa, S. Mizuta, K. Ohyama
  • Organizer: 2016年CBI学会
  • Place of Presentation: タワーホール船堀（江戸川区, 東京都）
  • Year and Date: 2016-10-25
• [Presentation] Structure-based drug discovery for prion disease by using a novel binding simulation on the graphics processing unit intensive supercomputer (2016)
  • Author(s): D. Ishibashi, T. Nakagaki, T. Ishikawa, R. Atarashi, K. Watanabe, T. Hamada, N. Nishida
  • Organizer: 第89回日本生化学会大会
  • Place of Presentation: 仙台国際センター（仙台市, 宮城県）
  • Year and Date: 2016-09-25
• [Presentation] Discovery of influenza virus inhibitors using in silico and in vitro approaches (2016)
  • Author(s): J. N. Makau, K. Watanabe, T. Ishikawa, T. Hamada, N. Kobayashi, N. Nishida
  • Organizer: The 15th Awaji International Forum on Infection and Immunity
  • Place of Presentation: 淡路夢舞台国際会議場（淡路市, 兵庫県）
  • Year and Date: 2016-09-06
  • Int'l Joint Research
• [Presentation] ハロゲン原子の導入によるタンパク質の構造安定化メカニズムの解明 (2016)
  • Author(s): 吉田尚恵, 石川岳志, 小橋創介, 鷹觜潤平, 春木満, 坂本健作, 山岸賢司
  • Organizer: 第16回日本蛋白質科学会年会
  • Place of Presentation: 福岡国際会議場（福岡市, 福岡県）
  • Year and Date: 2016-06-07
• [Presentation] 修飾RNAアプタマーに対するコンフォメーション解析 (2016)
  • Author(s): 関口真裕, 吉田尚恵, 石川岳志, 宮川伸, 坂本泰一, 山岸賢司
  • Organizer: 第16回日本蛋白質科学会年会
  • Place of Presentation: 福岡国際会議場（福岡市, 福岡県）
  • Year and Date: 2016-06-07
• [Presentation] 修飾RNAアプタマーに対する構造活性相関 (2016)
  • Author(s): 関口真裕, 小野間優希, 深谷和紀, 八巻雷士, 吉田尚恵, 石川岳志, 秋田一雅, 猪股恵美礼, 坂本泰一, 山岸賢司
  • Organizer: 第55回日本薬学会東北支部大会
  • Place of Presentation: 奥羽大学（郡山市, 福島県）
• [Presentation] Drug discovery for influenza virus (2016)
  • Author(s): J. N. Makau, K. Watanabe, T. Ishikawa, T. Hamada, N. Kobayashi, N. Nishida
  • Organizer: The 3rd International symposium for the Promotion of Science and Technology Innovation Cooperation between Africa and Japan
  • Place of Presentation: JICA市ヶ谷ビル（新宿区, 東京都）
  • Int'l Joint Research
• [Presentation] A New Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases (2016)
  • Author(s): N. Sriwilaijaroen, S. Magesh, A. Imamura, H. Ando, H. Ishida, M. Sakai, E. Ishitsubo, T. Hori, S. Moriya, T. Ishikawa, K. Kuwata, T. Odagiri, M. Tashiro, H. Hiramatsu, K. Tsukamoto, T. Miyagi, H. Tokiwa, M. Kiso, and Y. Suzuki
  • Organizer: The 11th China-Japan International Conference of Virology
  • Place of Presentation: 琴禅荘（観音寺市, 香川県）
  • Int'l Joint Research
• [Presentation] Green Tea Polyphenol Inhibits Key Enzyme in Cholesterol Biosynthesis (2016)
  • Author(s): Noguchi H
  • Organizer: 20th World Congress on Clinical Nutrition
  • Place of Presentation: Rama Garden Hotel（Bangkok, Thailand）
  • Int'l Joint Research / Invited
• [Presentation] Biosynthesis of plant polyphenol (2016)
  • Author(s): Noguchi H
  • Organizer: The 6th International Conference on Natural Products for Health and Beauty (NATPRO6)
  • Place of Presentation: Pullman Hotel（KhonKaen, Thailand）
  • Int'l Joint Research / Invited
• [Remarks] 鹿児島大学工学部化学生命工学科生命計算化学研究室
  • URL: http://www.cb.kagoshima-u.ac.jp/lab/ishi/
• [Remarks] 量子化学計算ソフトウエア「PAICS」
  • URL: http://www.paics.net/