Presentation Information

9:45 AM - 10:00 AM JST(12:45 AM - 1:00 AM UTC)

[10a-C213-4]FMO Interaction Analysis Concerning Mutations in Influenza Virus Hemagglutinin – part 2

〇Seitaro Okutani¹, Daiki Arai¹, Ryohei Yoshine¹, Subaru Hiratsuka¹, Hideo Doi¹, Koji Okuwaki^1,2, Yoshinori Hirano³, Eiji Yamamoto³, Kenji Yasuoka³, Shigenori Tanaka⁴, Yuji Mochizuki^1,5 (1.Rikkyo Univ., 2.JSOL, 3.Keio Univ., 4.Kobe Univ., 5.Univ. Tokyo)

Keywords:

FMO,MD,Influenza virus

H5N1 clade 2.3.4.4b is a subtype of highly pathogenic avian influenza, and it has been reported that a single mutation can enable infection in humans. In this study, to elucidate the effect of the T199I mutation in hemagglutinin (HA), we performed a detailed statistical interaction analysis by combining molecular dynamics (MD) and fragment molecular orbital (FMO) calculations. The results indicate that the structure carrying the T199I mutation exhibits more flexible binding behavior.

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