Germacrone derivatives: synthesis, biological activity, molecular docking studies and molecular dynamics simulations

Jie Wu; Yu Feng; Chao Han; Wu Huang; Zhibin Shen; Mengdie Yang; Weiqiang Chen; Lianbao Ye

doi:10.18632/oncotarget.14832

Oncotarget

Oncotarget (a primarily oncology-focused, peer-reviewed, open access journal) aims to maximize research impact through insightful peer-review; eliminate borders between specialties by linking different fields of oncology, cancer research and biomedical sciences; and foster application of basic and clinical science.

Its scope is unique. The term "oncotarget" encompasses all molecules, pathways, cellular functions, cell types, and even tissues that can be viewed as targets relevant to cancer as well as other diseases. The term was introduced in the inaugural Editorial, Introducing Oncotarget.

As of January 1, 2022, Oncotarget has shifted to a continuous publishing model. Papers will now be published continuously within yearly volumes in their final and complete form and then quickly released to Pubmed.

Subscribe to receive alerts once a paper has been published by Oncotarget.

Impact Journals, LLC is the publisher of Oncotarget: www.impactjournals.com.

Impact Journals is a member of the Wellcome Trust List of Compliant Publishers.

Impact Journals is a member of the Society for Scholarly Publishing.

On December 23, 2022, Oncotarget server experienced a DDoS attack. As a result, Oncotarget site was inaccessible for a few hours. Oncotarget team swiftly dealt with the situation and took it under control. This malicious action will be reported to the FBI.

Research Papers:

Germacrone derivatives: synthesis, biological activity, molecular docking studies and molecular dynamics simulations

Jie Wu, Yu Feng, Chao Han, Wu Huang, Zhibin Shen, Mengdie Yang, Weiqiang Chen and Lianbao Ye _

PDF | HTML | Supplementary Files | How to cite

Oncotarget. 2017; 8:15149-15158. https://doi.org/10.18632/oncotarget.14832

Metrics: PDF 1718 views | HTML 2071 views | ?

Abstract

Jie Wu1, Yu Feng1, Chao Han1, Wu Huang3 , Zhibin Shen4, Mengdie Yang2, Weiqiang Chen2, Lianbao Ye1

1School of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, China

2School of Basic Courses, Guangdong Pharmaceutical University, Guangzhou 510006, China

3Inspection and Quarantine Technology Center of Zhanjiang Entry-Exit Inspection and Quarantine Bureau, Zhanjiang 524001, China

4School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou 510006, China

Correspondence to:

Lianbao Ye, email: [email protected]

Keywords: germacrone derivative, biological activity, c-Met kinase, molecular docking, molecular dynamics simulations

Received: September 30, 2016 Accepted: January 13, 2017 Published: January 27, 2017

ABSTRACT

Germacrone is one of the major bioactive components in the Curcuma zedoaria oil product, which is extracted from Curcuma zedoaria Roscoe, known as zedoary. The present study designed some novel germacrone derivatives based on combination principles, synthesized these compounds, and investigated their inhibitions on Bel-7402, HepG2, A549 and HeLa cells. Meanwhile, the study evaluated inhibitions of these derivatives on c-Met kinase, which has been detected in a number of cancers. The results suggested that the majority of the compounds showed stronger inhibitory effect on cancers and c-Met kinase than germacrone. Furthermore, our docking experiments analyzed the results and explained the molecular mechanism. Molecular dynamics simulations were then applied to perform further evaluation of the binding stabilities between compounds and their receptors.

All site content, except where otherwise noted, is licensed under a Creative Commons Attribution 4.0 License.
PII: 14832

Publication Alerts

Research Papers:

Germacrone derivatives: synthesis, biological activity, molecular docking studies and molecular dynamics simulations

Abstract