A theoretical study on the decomposition mechanism of artemisinin |
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| Authors: | Pamela Moles |
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| Institution: | Departament de Química Física i Analítica, Avda. Sos Baynat s/n, 12071 Castelló, Spain |
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| Abstract: | A theoretical study on the artemisinin decomposition mechanism is reported. The suggested pathways have been reproduced and the appearance of the final products can be explained in a satisfactory way. In addition, several intermediates and radicals have been found as relatively stable species, thus giving support to the current hypothesis that some of these species can be responsible for the antimalarial action of artemisinin and its derivatives. |
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| Keywords: | Malaria DFT calculations Trioxane chemistry C-Radical intermediates |
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