Journal of Advanced Science
Online ISSN : 1881-3917
Print ISSN : 0915-5651
ISSN-L : 0915-5651
Paper
計算化学的アプローチによる麻疹ウイルス阻害剤の機能解析
Momoka AJIMASachiko AIDA-HYUGAJI
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2025 年 37 巻 p. 37103-1-37103-6

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The measles virus is a highly contagious pathogen responsible for causing measles, for which no effective treatment is currently available. Consequently, the development of therapeutic drugs remains a pressing need. Recently, inhibitors targeting the measles virus fusion protein—a critical factor in the virus's pathogenicity—have been identified and are considered promising candidates for therapeutic drug development. In this study, we employed fragment molecular orbital (FMO) calculations to elucidate the interaction mechanism between AS-48, a representative inhibitor, and the fusion protein.
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