Kaempferols from Echinacea purpurea demonstrate anti-cancer potential by targeting anexelekto in breast cancer therapy using chemoinformatics approach.

These characteristics may be significant for the drug’s mode of action as well as its capacity to interact with target proteins. β-sitosterol had the highest value of the highest occupied molecular orbital (HOMO), whereas Kaempferol 3-o-beta-d-glucopyranosyl-7-o-alpha-L-rhamnopyranoside had the lowest value.

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