| 摘要 |
PROBLEM TO BE SOLVED: To obtain three-dimensional X-ray crystal structure of human sorbitol dehydrogenase (hSDH), modeling of new structure, a bond form of SDH ligand, and a bond form of cofactor NADH and to provide a method for rational drug design on the basis of the use of such data. SOLUTION: This three-dimensional structure of human sorbitol dehydrogenase (hSDH) conjugated with a ligand is interpreted by X-ray crystallography. This method for rational drug design is based on the atomic coordinates of hSDH derived from high-resolution X-ray diffraction pattern analysis of enzyme SDH crystal and structural data of hSDH. A bond form of ligand which is analyzed by a computer system having a proper computer algorithm and supplied to a computer readable medium is provided. The essence of interaction between the bond form of NADH being an essential cofactor and its ligand is provided. |
