Blar i forfatter "Ezawa, Takuya"

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    • Design of galardine analogs as putative psudolysin inhibitors based on ab initio fragment molecular orbital calculations 

      Ezawa, Takuya; Sugiyama, Satoshi; Ara, Ayami; Sylte, Ingebrigt; Kurita, Noriyuki (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-08-29)
      Pseudolysin (PLN) is a metalloproteinase secreted from bacteria that degrades extracellular proteins to produce bacterial nutrition. It is thus expected that inhibitors against PLN can suppress the growth of bacteria and their pandemic spread. In addition, since these inhibitors do not attack to bacteria directly, there is a reduced risk for producing drug-resistant bacteria. On the other hand, as ...

    • Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations 

      Ezawa, Takuya; Saito, Ryosuke; Suzuki, Shusuke; Sugiyama, Satoshi; Sylte, Ingebrigt; Kurita, Noriyuki (Journal article; Tidsskriftartikkel; Peer reviewed, 2020-04-01)
      The zinc-metalloprotease pseudolysin (PLN) secreted from bacteria degrades extracellular proteins to produce bacterial nutrition. Since PLN has a Zn ion at the inhibitor-binding site, the interactions between Zn and PLN residues as well as inhibitor can be significantly changed depending on the protonation states of PLN residues at the inhibitor-binding site. To determine stable protonation states ...

    • Specific interactions between the alkaline protease of P. aeruginosa and its natural peptide inhibitor: ab initio molecular simulations 

      Saito, Ryosuke; Imai, Kyohei; Yamamoto, Shohei; Ezawa, Takuya; Sugiyama, Satohsi; Evenseth, Linn; Sylte, Ingebrigt; Kurita, Noriyuki (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-12-16)
      Alkaline protease aeruginolysin (APR) is an important virulence factor in the evasion of the immune system by Pseudomonas aeruginosa (P. aeruginosa). The P. aeruginosa genome also encodes the highly potent and specifc APR peptide inhibitor (APRin). However, the structural reason for the signifcant inhibition has not been revealed. Using ab initio molecular simulations, we here investigated the ...