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Selective phosphoinositide 3-kinase inhibition by natural products: A molecular docking study
Author(s): David A. Jackson and William N. Setzer*
Phosphoinositide 3-kinase (PI3K) is responsible for a large number of signaling pathways involved in a range of conditions ranging from allergic response to tumor growth, and much research is currently underway to identify novel selective inhibitors for the different isoforms of PI3K. In this work, a molecular docking analysis of 80 antiinflammatory natural products was carried out with three isoforms of PI3K in order to identify potential selective inhibitors from natural sources. Seven natural products with “drug-like” properties were found to dock strongly and selectively with PI3K. These include the alkaloids berberine, chelerythrine, and isaindigotone; the flavonoids malvidin, isovitexin, and vitexin; and the triterpenoid cucurbitacin B.