Abstract
Aim:
To investigate antimalarial mechanism of Qinghaosu ( QHS) and its derivatives.
Methods:
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.
Results:
The peroxide bridge is the active center of QHS and induced by ferrous iron to produce cyclic product.
Conclusion:
Heme can link with QHS derivatives.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Antimalarials / chemistry*
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Antimalarials / isolation & purification
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Artemisia / chemistry
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Artemisinins / chemistry*
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Artemisinins / isolation & purification
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Electron Transport
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Free Radicals / chemistry
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Heme / chemistry
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Models, Chemical
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Peroxides / chemistry
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Plants, Medicinal / chemistry
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Quantum Theory*
Substances
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Antimalarials
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Artemisinins
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Free Radicals
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Peroxides
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Heme
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artemisinin