Synthesis, molecular modelling studies of artemisinin-chalcone derivatives and their antimalarial activity evaluation.
Nat Prod Res
; : 1-11, 2024 Jul 26.
Article
en En
| MEDLINE
| ID: mdl-39066511
ABSTRACT
Twenty-two monomers and dimers of artemisinin having chalcone as a linker were synthesised, and their antimalarial activity against Plasmodium falciparum was determined, and a quantitative structure-activity relationship (QSAR) was developed. Artemisinin is a frontline antimalarial drug known worldwide but is threatened because of the rapidly emerging artemisinin-resistant strain Plasmodium falciparum. In vitro, antimalarial IC50 (half-maximal inhibitory concentration) activity of a molecule against malaria parasites provides a good first screen for identifying the antimalarial potential of a particular molecule. The most active compound was artemisinin dimer dimethoxy chalcone as a linker (22) with IC50 of 4.34 nM. The molecular mechanism was explored through in silico docking & ADMET studies for the active compounds.
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1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Nat Prod Res
Año:
2024
Tipo del documento:
Article
País de afiliación:
India