Presentation Information

10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[16a-W2_402-7]FMO Interaction Analysis Concerning Mutations in Influenza Virus Hemagglutinin

〇(M1)Seitaro Okutani¹, Daiki Arai¹, Ryohei Yoshine¹, Hideo Doi¹, Yoshinori Hirano², Eiji Yamamoto², Kenji Yasuoka², Shigenori Tanaka³, Yuji Mochizuki^1,4 (1.Rikkyo Univ., 2.Keio Univ., 3.Kobe Univ., 4.Univ. Tokyo)

Keywords:

FMO,MD,Influenza virus

H5N1 clade 2.3.4.4b is a highly pathogenic avian influenza virus. It has been reported that single mutations can enable transmission to humans. To clarify the effect of the T199I mutation on hemagglutinin (HA), we performed detailed statistical interaction analyses using a combination of molecular dynamics (MD) and fragment molecular orbital (FMO) calculations. Our results showed that the structure with this mutation had more flexible binding.

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