[A quantum chemistry investigation on antimalarial mechanism of Qinghaosu based on cleavage of the peroxide bridge]

Autor: Rui-Ling, Liang, Tian-Wei, Liu, Ling-Bo, Qu, Ming-Sheng, Tang, Bing-Ren, Xiang
Rok vydání: 2006
Předmět:
Zdroj: Yao xue xue bao = Acta pharmaceutica Sinica. 41(6)
ISSN: 0513-4870
Popis: To investigate antimalarial mechanism of Qinghaosu ( QHS) and its derivatives.The electronic structure of QHS and its derivatives were completely optimized and calculated at B3LYP/6-31G * level, while the route was at HF/STO-3G level.The peroxide bridge is the active center of QHS and induced by ferrous iron to produce cyclic product.Heme can link with QHS derivatives.
Databáze: OpenAIRE