[A quantum chemistry investigation on antimalarial mechanism of Qinghaosu based on cleavage of the peroxide bridge].
Yao Xue Xue Bao
; 41(6): 544-7, 2006 Jun.
Article
in Zh
| MEDLINE
| ID: mdl-16927830
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.
Search on Google
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Quantum Theory
/
Artemisinins
/
Antimalarials
Language:
Zh
Journal:
Yao Xue Xue Bao
Year:
2006
Document type:
Article
Affiliation country:
China