Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Curcumins from Curcuma longa Potential Inhibit PTP1B and α-Glucosidase: Experimental and Computational Study

Thi-Tu Dinh
† ,
Anh-Tuan Nguyen
† ,
Minh-Quan Pham
ORCID logo ,
Dao-Cuong To
,
Ngoc-Quang Dang
,
The-Hung Nguyen
,
Huu-Tho Nguyen
,
Tien-Dung Nguyen
* ORCID logo ,
Manh-Hung Tran
,
Phi-Hung Nguyen
* ORCID logo
†
These authors contributed equally to the work.
Version 1 : Received: 24 April 2023 / Approved: 25 April 2023 / Online: 25 April 2023 (03:08:59 CEST)

How to cite: Dinh, T.; Nguyen, A.; Pham, M.; To, D.; Dang, N.; Nguyen, T.; Nguyen, H.; Nguyen, T.; Tran, M.; Nguyen, P. Curcumins from Curcuma longa Potential Inhibit PTP1B and α-Glucosidase: Experimental and Computational Study. Preprints 2023, 2023040869. https://doi.org/10.20944/preprints202304.0869.v1 Dinh, T.; Nguyen, A.; Pham, M.; To, D.; Dang, N.; Nguyen, T.; Nguyen, H.; Nguyen, T.; Tran, M.; Nguyen, P. Curcumins from Curcuma longa Potential Inhibit PTP1B and α-Glucosidase: Experimental and Computational Study. Preprints 2023, 2023040869. https://doi.org/10.20944/preprints202304.0869.v1

Abstract

Curcuma longa is only a rich source of curcumin (1) and its major analogues demethoxycurcumin (2) and bisdemethoxycurcumin (3) among the Curcuma species. The content ratio of these three curcumins in turmeric is depended on the varieties and growing environment. Recently, curcumin (1) has been reported as potential inhibitor of hepatic and enzymatic protein tyrosine phosphatase 1B (PTP1B) and its related disorders such as hypertriglyceridemia, hyperlipidemia and liver steatosis. Thus, we further purified curcumins (1–3) from C. longa and investigated their inhibitory effects against PTP1B and α-glucosidase enzymes. As the result, curcumins (1–3) exhibited potential PTP1B inhibition with IC50 values of 37.8 ± 1.4, 45.3 ± 0.7, and 72.6 ± 1.1 μM, respectively, and α-glucosidase inhibition with similar manner (IC50 values of 78.2 ± 0.2, 82.4 ± 0.6, and 90.6 ± 1.0 μM, respectively). These results reveal a key role of methoxylation in the variation of PTP1B and α-glucosidase inhibitory activity for these curcumins. In addition, density functional theory (DFT) was used accompanying with molecular docking (MD) to analyze the ligand stability and the interaction of curcumins (1–3) with PTP1B and glucoside hydrolase proteins. Assay-based results and the MD data obtained are highly correlation suggesting that the deterioration of the enzyme activity caused by the distortion of structural conformation of PTP1B and glucoside hydrolase may be related to the arrangement of amino acids in protein structure. This reported for the first time that inhibitory effects of curcumins (1–3) against PTP1B and glucoside hydrolase have been examined in vitro and in silico as well.

Keywords

Curcuma longa; curcumins; PTP1B; anti-diabetes; α-glucosidase; turmeric; molecular docking simulation.

Subject

Chemistry and Materials Science, Food Chemistry

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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