| Project/Area Number |
21590046
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical pharmacy
|
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| Research Institution | Kitasato University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
HIRONO Shuichi 北里大学, 薬学部, 教授 (30146328)
YAMAOTSU Noriyuki 北里大学, 薬学部, 講師 (60230322)
NAKAGOME Izumi 北里大学, 薬学部, 助教 (30237242)
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| Project Period (FY) |
2009 – 2011
|
| Project Status |
Completed (Fiscal Year 2011)
|
| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2011: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2010: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2009: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | キチナーゼ / 阻害剤 / ドッキング計算 / 分子動力学 / 結合自由エネルギー / ドラッグデザイン / 喘息治療薬 / 抗真菌薬 |
|---|
| Research Abstract |
The binding mode between our recently developed chitinase inhibitor with a 14-membered macrolide scaffold and chitinase B from Serratia marcescens was investigated using molecular dynamics simulation, molecular docking, and free energy calculation. We further designed its derivatives expected to possess stronger inhibitory activities.
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