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

Twenty one chalcone derivatives were synthesized using Claisen-Schmidt condensation, their antimalarial activity against 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 IC (half-maximal inhibitory concentration) activity of a compound against malaria parasites provides a good first screen for identifying the antimalarial potential of the compound. The most active compound was with IC of 2.1 µM/L. Molecular mechanism was explored through docking & ADMET studies for the active compounds.