Next Article in Journal
U-Shaped Relationship between Serum Leptin Concentration and Cognitive Performance in Older Asian Adults
Next Article in Special Issue
Polyphenols Modulate Alzheimer’s Amyloid Beta Aggregation in a Structure-Dependent Manner
Previous Article in Journal
Intracellular Water Content in Lean Mass is Associated with Muscle Strength, Functional Capacity, and Frailty in Community-Dwelling Elderly Individuals. A Cross-Sectional Study
Previous Article in Special Issue
Maternal Flavonoids Intake Reverts Depression-Like Behaviour in Rat Female Offspring
Article Menu
Issue 3 (March) cover image

Export Article

Open AccessArticle

Biological Evaluation and Docking Analysis of Potent BACE1 Inhibitors from Boesenbergia rotunda

1 and 1,2,3,*
Department of Food Science and Nutrition, College of Health Sciences, Dong-A University, 37, Nakdong-daero 550 beon-gil, Saha-gu, Busan 49315, Korea
Center for Silver-Targeted Biomaterials, Brain Busan 21 Plus Program, Graduate School, Dong-A University, Nakdong-daero 550 beon-gil, Saha-gu, Busan 49315, Korea
Institute of Convergence Bio-Health, Dong-A University, Busan 49315, Korea
Author to whom correspondence should be addressed.
Nutrients 2019, 11(3), 662;
Received: 27 February 2019 / Revised: 13 March 2019 / Accepted: 13 March 2019 / Published: 19 March 2019
(This article belongs to the Special Issue Phytochemicals in Health and Disease)
PDF [2667 KB, uploaded 19 March 2019]


Alzheimer’s disease (AD) is an irreversible neurodegenerative disorder characterized by progressive impairment of cognitive functions. Beta-site amyloid precursor protein cleaving enzyme1 (BACE1) is essential for the formation of β-amyloid peptide (Aβ), a major constituent of amyloid plaques that represent a neuropathological hallmark of this disorder. To find alternative therapies for AD sourced from natural products, the present study focused on three flavonoids from Boesenbergia rotunda, namely, cardamonin, pinocembrin, and pinostrobin. Biological evaluation showed that cardamonin presented the strongest BACE1 inhibition, with an The half maximal inhibitory concentration (IC50) value of 4.35 ± 0.38 µM, followed by pinocembrin and pinostrobin with 27.01 ± 2.12 and 28.44 ± 1.96 µM, respectively. Kinetic studies indicated that the inhibitory constants (Ki) for cardamonin, pinocembrin, and pinostrobin against BACE1 were 5.1, 29.3, and 30.9 µM, respectively. Molecular docking studies showed that the tested compounds did not bind to the BACE1 active site, consistent with the biological results, illustrating non-competitive inhibitory activity for all three compounds. In addition, the lowest binding energy of the most proposed complexes of cardamonin, pinocembrin, and pinostrobin with BACE1 were −9.5, −7.9, and −7.6 kcal/mol, respectively. Overall, we provide the first evidence that these flavonoids from B. rotunda may be considered as promising AD preventative agents through inhibition of Aβ formation. View Full-Text
Keywords: Alzheimer’s disease; Aβ; BACE1; in silico docking; Boesenbergia rotunda Alzheimer’s disease; ; BACE1; in silico docking; Boesenbergia rotunda

Graphical abstract

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 (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

Youn, K.; Jun, M. Biological Evaluation and Docking Analysis of Potent BACE1 Inhibitors from Boesenbergia rotunda. Nutrients 2019, 11, 662.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Nutrients EISSN 2072-6643 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top