In vivo, In vitro and Molecular Modelling Analysis of Isoquercetin, Roseoside, Coreximine, Anonaine, and Arianacin Molecules.

BACKGROUND Annona muricata is a member of the Annonaceae family. This plant has a high concentration of Acetogenin, which gives it excellent therapeutic powers. Researchers have tested this miraculous herb in the treatment of breast cancer cells and observed that it can be a source of anticancer. OBJECTIVE The proposed study focused on screening potent the anticancer biological activity of Annona muricata plant by the in-vitro, in-vivo, and in-silico method. METHODS In-vitro analysis, the IC50 was determined on two-dimensional and three-dimensional breast cancer cells. 2D cells were grown on flat dishes typically made of plastic, while 3D cells were grown using the hanging drop method. İn-vivo analysis, Drosophila melanogaster was preferred and the LC50 was determined. In-silico analysis, molecular docking studies have been carried out on the different classes of Annona muricata Acetogenins against the target proteins. Nearly five Acetogenins were selected from the literature and docking was performed against human Bcl-2, Bad and Akt-1 proteins. RESULTS In-vitro and in-vivo results revealed the IC50 value of 2D MDA-MB-231 cells was 330 μg.mℓ-1, 2D MCF-7 cells were 290 μg.mℓ-1, 3D MCF-7 and MDA-MB-231 cells were about 0.005 g.mℓ-1, and LC50 of Drosophila melanogaster was determined as 0.1 g.mℓ-1. In-silico results revealed the docked complex formed by Isoquercetin showed better binding affinity towards target proteins. CONCLUSION As a result of the analysis, the Annona muricata plant has been observed to be effective against cancer and likely to be a potential drug.