[17a-Z23-1~11] 12.2 Characterization and Materials Physics

[17a-Z23-1] Application of FMO based-electrostatic interaction analysis method to SARS-CoV-2 spike protein

〇Takeshi Ishikawa¹, Hiroki Ozono¹, Hiroki Obara¹, Kazuki Akisawa², Ryo Hatada², Koji Okuwaki², Yuji Mochizuki^2,3 (1.Kagoshima Univ., 2.Rikkyo Univ., 3.Tokyo Univ.)

Keywords:SARS-CoV-2 spike protein, fragment molecular orbital method, electrostatic potential

The SARS-CoV-2 spike protein is known to have an important role in the entry of viral particles into cells, and is also one of the potential targets for drug development. Therefore, molecular interaction analysis related to this protein is important in various researches for COVID-19. In this study, we analyzed the interaction of the receptor binding domain of spike protein with the ACE2 receptor on human cells and neutralizing antibody (B38) using a newly developed protein-protein electrostatic interaction analysis method.