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. 2021 Oct 22;19(11):599. doi: 10.3390/md19110599

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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PI3K inhibitory effect of Act V investigated by Auto-DockTools software, Discovery studios, and HTRFKinEASE-TK kit. (A) Auto-DockTools software and discovery studios were employed to obtain the optimal docking model of Act V to the PI3K protein. The optimal binding configuration is shown, with a −7.39 KJ/mol binding energy. (The PI3Kα protein model was taken from Protein Data Bank, ID: 3ZIM.) (B) A simplified 2D interaction model is illustrated, with conventional hydrogen bonds, carbon bonds, and alkyl interaction shown. (C) The HTRF kit was used to analyze the inhibition efficacy of Act V. The data are presented as the mean ± SD (standard deviation) of triplicate independent examinations.