公开(公告)号：US20170212982A1

公开(公告)日：2017-07-27

申请号：US15321414

申请日：2015-06-24

Applicant: JAPAN SCIENCE AND TECHNOLOGY AGENCY

Inventor： Takeshi Murata ,  Masahiro KINOSHITA ,  Satoshi YASUDA ,  Yuuki TAKAMUKU ,  Kenji MIZUTANI ,  Nanao SUZUKI ,  Yuta KAJIWARA

IPC: G06F19/18 ,  G06F19/16

CPC classification number: G16B20/00 ,  C07K1/107 ,  C12M1/00 ,  C12M1/34 ,  G16B15/00

Abstract: The present disclosure includes predicting a three-dimensional structure of one residue mutant of a membrane protein where respective amino acid residues have been substituted by all amino acids, calculating a solvation entropy change in formation of a tertiary structure from a primary structure or formation of the tertiary structure from secondary-structure units within a transmembrane segment, and extracting a candidate of an amino acid mutant to be thermostabilized based on a difference between a solvation entropy change in the membrane protein and a solvation entropy change in the amino acid mutant.

公开(公告)号：US20220105076A1

公开(公告)日：2022-04-07

申请号：US17423598

申请日：2020-01-15

Applicant: Japan Science and Technology Agency

Inventor： Takeshi Murata ,  Kouki Shimizu ,  Fabiana Lica Yakushiji ,  Katsuhiko Moriyama

IPC: A61K31/4184 ,  C12Q1/18 ,  A61K31/4245 ,  A61K31/426 ,  A61K31/515 ,  A61P31/04

Abstract: An inhibitor for Na+-translocating V-ATPase activity including a compound represented by where R1 represents a group selected from a hydroxy group, an alkoxy group, and a haloalkoxy group, each bonded to an adjacent phenyl group via oxygen, or a group selected from a dialkylamino group, a heterocyclic amine, and a carboxylic acid amide group, each bonded to an adjacent phenyl group via nitrogen, or represents bromine, iodine, or a straight-chain hydrocarbon group. R2 represents hydrogen or a haloalkoxy group. Z1 represents an aliphatic hydrocarbon group, an alicyclic hydrocarbon group, an aromatic hydrocarbon group, or a heterocyclic group, each optionally having an arbitrary substituent and having a structure containing a double bond selected from between the group and an adjacent phenyl group. The symbol * represents a bond to the adjacent phenyl group.