Development of molecular design basis for molting hormone receptor regulation
| Project/Area Number |
16K07625
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Plant protection science
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| Research Institution | Kyoto University |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2018: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2016: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
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| Keywords | ecdysone / molting hormone / MM/PBSA / 分子動力学 / 結合自由エネルギー / インシリコスクリーニング / エクダイソン / ecdysone receptor / 脱皮ホルモン / ジアシルヒドラジン / MM/PBSA法 / インシリコスクリーング / 脱皮ホルモン受容体 / in silicoスクリーニング / ドッキングシミュレーション / MM-PBSA / 受容体タンパク質 / Ecdysone / Molting / Insect growth disruptor / Drug design / In silico screenig |
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| Outline of Final Research Achievements |
A correlation was found between receptor binding energy and molting hormone-like activity of molting hormone-like active compounds calculated using molecular dynamics and MM / PBSA method. Using this result, in silico screening was conducted from 3.8 million structure databases to find five active compounds. One of them is a derivative of proline, which has two asymmetric carbons and four stereoisomers, so we synthesized them all and evaluated their activity.
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| Academic Significance and Societal Importance of the Research Achievements |
20ーhydroxyecdysone (20E)はほとんどの昆虫が用いている脱皮ホルモンで，この20Eの作用をかく乱することによって昆虫は死にいたる．実際に20Eと同じホルモン作用を示すdiacylhydrazine（DAH）類に強い殺虫活性が見つかり，農薬として実用されている．しかし，DAH類はチョウ目選択的で，他の昆虫目に対してはほとんど活性を示さない．その原因が，DAHと20Eの結合部位の違いによるものであることが明らかにされている．20E結合部位の変異は起こりくいと考えられるが，DAHの結合部位に変異が起こり抵抗性を獲得する可能性があり，新規のアゴニストを見言い出すことは重要である．
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Report
(4 results)
Research Products
(23 results)
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[Journal Article] Genome-wide identification of tebufenozide resistant genes in the smaller tea tortrix, Adoxophyes honmai (Lepidopter: Tortricidae)2019
Author(s)
Miwa Uchibori-Asano, Akiya Jouraku, Toru Uchiyama, Kakeru Yokoi, Gaku Akiduki, Yoshitaka Suetsugu, Tetsuya KObayashi, Akihito Ozawa, Saki MInami, Chiharu Ishizuka, Yoshiaki Nakagawa, Takaaki Daimon, Tetsuro Shinoda
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Journal Title
Scientific Reports
Volume: 9
Issue: 1
Pages: 1-12
DOI
Related Report
Peer Reviewed / Open Access
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