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J.Health Sci., 53(6), 730-733, 2007
Characteristic Properties of Genipin as an Activator in Neuronal Nitric Oxide Synthase
Hirokazu Suzuki,a, c Matsumi Yamazaki,b
Kenzo Chiba,*, b, c Hiroyuki Sawanishi,a, c
aDepartment of Medicinal Chemistry,
bDepartment of Biochemistry, Faculty of Pharmaceutical Sciences, and
cOrganization for Frontier Research in Preventive Pharmaceutical Sciences, Hokuriku University, Ho-3 Kanagawa-machi, Kanazawa, Ishikawa 920-1181, Japan
The present investigation was undertaken to compare the structural and electronic properties of genipin with those of tetrahydrobiopterin (H4B), an essential cofactor in neuronal nitric oxide synthase (nNOS), and 4-aminotetrahydrobiopterin (4-amino-H4B), an inhibitor of nNOS, using computer-assisted molecular modeling techniques. Molecular modeling, superimposing, and docking simulation, in addition to LUMO-energy calculation, revealed that genipin has structural and electronic properties that markedly resemble those of H4B.
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