Next Article in Journal
Recent Chemical and Pharmacological Developments on 14-Oxygenated-N-methylmorphinan-6-ones
Next Article in Special Issue
Barbeya oleoides Leaves Extracts: In Vitro Carbohydrate Digestive Enzymes Inhibition and Phytochemical Characterization
Previous Article in Journal
In Vitro Phenotypic Activity and In Silico Analysis of Natural Products from Brazilian Biodiversity on Trypanosoma cruzi

Interaction of (+)-Strebloside and Its Derivatives with Na+/K+-ATPase and Other Targets

Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, Columbus, OH 43210, USA
Department of Pharmaceutical Sciences, College of Pharmacy, University of Illinois at Chicago, Chicago, IL 60612, USA
Authors to whom correspondence should be addressed.
Equal contributions.
Current address: Laboratory of Molecular Modeling and Design, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116024, China.
Academic Editors: Henrik Toft Simonsen, Henrik Franzyk, John Isaacs and Nikolai Engedal
Molecules 2021, 26(18), 5675;
Received: 20 July 2021 / Revised: 8 September 2021 / Accepted: 14 September 2021 / Published: 18 September 2021
Docking profiles for (+)-strebloside, a cytotoxic cardiac glycoside identified from Streblus asper, and some of its derivatives and Na+/K+-ATPase have been investigated. In addition, binding between (+)-strebloside and its aglycone, strophanthidin, and several of their other molecular targets, including FIH-1, HDAC, KEAP1 and MDM2 (negative regulators of Nrf2 and p53, respectively), NF-κB, and PI3K and Akt1, have been inspected and compared with those for digoxin and its aglycone, digoxigenin. The results showed that (+)-strebloside, digoxin, and their aglycones bind to KEAP1 and MDM2, while (+)-strebloside, strophanthidin, and digoxigenin dock to the active pocket of PI3K, and (+)-strebloside and digoxin interact with FIH-1. Thus, these cardiac glycosides could directly target HIF-1, Nrf2, and p53 protein–protein interactions, Na+/K+-ATPase, and PI3K to mediate their antitumor activity. Overall, (+)-strebloside seems more promising than digoxin for the development of potential anticancer agents. View Full-Text
Keywords: (+)-strebloside; cytotoxicity; Na+/K+-ATPase; docking profiles; molecular targets (+)-strebloside; cytotoxicity; Na+/K+-ATPase; docking profiles; molecular targets
Show Figures

Figure 1

MDPI and ACS Style

Ren, Y.; Wu, S.; Chen, S.; Burdette, J.E.; Cheng, X.; Kinghorn, A.D. Interaction of (+)-Strebloside and Its Derivatives with Na+/K+-ATPase and Other Targets. Molecules 2021, 26, 5675.

AMA Style

Ren Y, Wu S, Chen S, Burdette JE, Cheng X, Kinghorn AD. Interaction of (+)-Strebloside and Its Derivatives with Na+/K+-ATPase and Other Targets. Molecules. 2021; 26(18):5675.

Chicago/Turabian Style

Ren, Yulin, Sijin Wu, Sijie Chen, Joanna E. Burdette, Xiaolin Cheng, and A. D. Kinghorn. 2021. "Interaction of (+)-Strebloside and Its Derivatives with Na+/K+-ATPase and Other Targets" Molecules 26, no. 18: 5675.

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

Article Access Map by Country/Region

Back to TopTop