Synthesis, molecular modelling studies of indolyl chalcone derivatives and their antimalarial activity evaluation.

Synthesis, molecular modelling studies of indolyl chalcone derivatives and their antimalarial activity evaluation. Nat Prod Res. 2019 Dec 04;:1-8 Authors: Jyoti, Gaur R, Kumar Y, Cheema HS, Kapkoti DS, Darokar MP, Khan F, Bhakuni RS Abstract Twenty one chalcone derivatives were synthesized using Claisen-Schmidt condensation, their antimalarial activity against Plasmodium falciparum was determined and quantitative structure-activity relationship (QSAR) was developed. Condensation of substituted acetophenones with various aromatic aldehydes at room temperature gave chalcones in 75-96% yield. Chalcones are secondary metabolites of terrestrial plants, precursors for the biosynthesis of flavonoids and exhibit various biological activities. Antiplasmodial IC50 (half-maximal inhibitory concentration) activity of a compound against malaria parasites in vitro provides a good first screen for identifying the antimalarial potential of the compound. The most active compound was Trans-3-(1H-indol-3-yl)-1-(2'-hydroxyphenyl)-2-propen-1-one (1b) with IC50 of 2.1 µM/L. Molecular mechanism was explored through in silico docking & ADMET studies for the active compounds. PMID: 31795747 [PubMed - as supplied by publisher]
Source: Natural Product Research - Category: Biochemistry Authors: Tags: Nat Prod Res Source Type: research