2015 Fiscal Year Final Research Report
Deverlopment of in silico drug resistance evaluation based on the target protein structures
| Project/Area Number |
24790043
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical pharmacy
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| Research Institution | Osaka University |
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Principal Investigator |
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| Project Period (FY) |
2012-04-01 – 2016-03-31
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| Keywords | ウイルス / 感染症 / 薬剤耐性 / ドッキングシミュレーション / 配列解析 |
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| Outline of Final Research Achievements |
Emergence of drug resistant virus in treatment of viral infections is an unavoidable problem and the evaluation of drug resistant is an important theme among that. We developed a new evaluation method for drug resistant virus with a docking study, using known crystal structure and the mutation information. We applied this method to atazanavir and oseltamivir for the purpose of extending the scope of this method. Evaluating resistance to atazanavir for 30 kinds HIV-1 protease, including wild type and 29 variants, it was possible to assess the strong atazanavir-resistant protease. Further, we also applied this method to the H1N1 subtype and B type neuraminidase, to each type including wild type, resistant variant and strong resistant variant, it was possible to evaluate the strong resistant variants of H1N1 subtype and B type neuraminidase.
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| Free Research Field |
計算化学、分子設計学
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