Gouda Hiroaki

ゴウダヒロアキ | Gouda Hiroaki

Affiliation and department：
Job title： Professor

Research field (2)： Pharmaceuticals - analytical and physicochemistry , Biophysics

Research keywords (4)：生物物理学 , 物理系薬学 , Biophysics , Physical Pharmaceutics

Research theme for competitive and other funds (19)：

2022 - 2026 量子化学計算に基づいたリガンド結合部位の分子相互作用場算出法の開発
2019 - 2023 知識ベースを活用したHLA提示抗原ペプチド予測法の開発
2015 - 2018 アルツハイマー型認知症の改善作用を伴った新規糖尿病治療薬のイン・シリコ分子設計
2014 - 2017 Development of novel anticancer agents targeting survival strategy of cancer cells
2014 - 2017 Elucidation of the mechanisms of chronic pain by PAC1 receptor and drug discovery.

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Papers (84)：

Daichi Hayakawa, Yurie Watanabe, Hiroaki Gouda. Molecular Interaction Fields Describing Halogen Bond Formable Areas on Protein Surfaces. Journal of Chemical Information and Modeling. 2024
Michiko Jo, Keiichi Koizumi, Mizuho Suzuki, Daisuke Kanayama, Yurie Watanabe, Hiroaki Gouda, Hisashi Mori, Mineyuki Mizuguchi, Takayuki Obita, Yuko Nabeshima, et al. Design, synthesis, structure-activity relationship studies, and evaluation of novel GLS1 inhibitors. Bioorganic & medicinal chemistry letters. 2023. 87. 129266-129266
Tsuyoshi Saitoh, Mao Amezawa, Jumpei Horiuchi, Yasuyuki Nagumo, Naoshi Yamamoto, Noriki Kutsumura, Ryuichiro Ohshita, Akihisa Tokuda, Yoko Irukayama-Tomobe, Yasuhiro Ogawa, et al. Discovery of novel orexin receptor antagonists using a 1,3,5-trioxazatriquinane bearing multiple effective residues (TriMER) library. European journal of medicinal chemistry. 2022. 240. 114505-114505
Daichi Hayakawa, Nanako Terauchi, Aika Iwasaki, Yurie Watanabe, Hiroaki Gouda. Systematic preparation method of a molecular model explicitly describing electron distributions for halogen bonds. Chemical Physics Letters. 2022. 139754-139754
Ichiro Takasaki, Ai Watanabe, Takuya Okada, Daisuke Kanayama, Ryota Nagashima, Miyu Shudo, Ayaka Shimodaira, Kazuto Nunomura, Bangzhong Lin, Yurie Watanabe, et al. Design and synthesis of pyrido[2,3-d]pyrimidine derivatives for a novel PAC1 receptor antagonist. European Journal of Medicinal Chemistry. 2022. 231. 114160-114160

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MISC (72)：

平山重人, 上之原由佳, 津村沙織, 東永華, 渡邉友里江, 合田浩明, 長瀬博, 藤井秀明. Synthesis of morphinan derivatives with an oxabicyclo[3.2.1]octane structure as dual agonists toward δ and κ opioid receptors. 日本薬学会年会要旨集(Web). 2022. 142nd
渡邉友里江, 早川大地, 合田浩明. Interaction analysis between PgDPP11 and an inhibitor NPPB using docking calculation and molecular dynamics simulation. 日本薬学会年会要旨集(Web). 2022. 142nd
早川大地, 渡邉友里江, 合田浩明. Constructions of molecular models explicitly describing electron distributions by the density fitting method. 日本薬学会年会要旨集(Web). 2022. 142nd
阪本泰光, 中村彰宏, 鈴木義之, 六本木沙織, 櫛引千里, 米澤夏里, 高橋聖人, 志田洋介, 合田浩明, 野中孝昌, et al. Structural basis for the antibacterial drug development against the multidrug-resistant strain Stenotrophomonas maltophilia DPP7. 日本薬学会年会要旨集(Web). 2022. 142nd
早川大地, 渡邉友里江, 合田浩明. Constructing and analyzing a database of HLA-antigen peptide interactions using functional spheres describing physicochemical properties. 日本薬学会年会要旨集(Web). 2021. 141st

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Professional career (2)：

Association Membership(s) (6)：

情報計算化学生物学会 , 日本薬学会 , 日本生物物理学会 , The Biophysical Society of Japan , The Pharmaceutical Society of Japan , Chem-Bio Informatics Society

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