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. 2019 Oct 30;9:15585. doi: 10.1038/s41598-019-52088-7

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Structure of DPP IV active site and scheme of natural compounds binding to the active site of DPP IV. Simulation of (A) DPP IV active site co-complexed with vitagliptin (PDB ID: 3w2t)⁴⁰, (B) curcumin, (C) syringic acid, (D) resveratrol, and (E) DPP IV inhibitor (sitagliptin) binding to DPP IV active site. Selected the new DPP IV inhibitor by virtual screening was found from screening compound binding with the active site of DPP IV.