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Determination of the binding mode for anti-inflammatory natural product xanthohumol with myeloid differentiation protein 2

Overview of attention for article published in Drug Design, Development and Therapy, January 2016
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26 Mendeley
Title
Determination of the binding mode for anti-inflammatory natural product xanthohumol with myeloid differentiation protein 2
Published in
Drug Design, Development and Therapy, January 2016
DOI 10.2147/dddt.s98466
Pubmed ID
Authors

Guang Liang, Weitao Fu, Lingfeng Chen, Zhe Wang, Chengwei Zhao, Gaozhi Chen, Xing Liu, Yuepiao Cai, Jianmin Zhou, Yuanrong Dai, Chenglong Li

Abstract

It is recognized that myeloid differentiation protein 2 (MD-2), a coreceptor of toll-like receptor 4 (TLR4) for innate immunity, plays an essential role in activation of the lipopolysaccharide signaling pathway. MD-2 is known as a neoteric and suitable therapeutical target. Therefore, there is great interest in the development of a potent MD-2 inhibitor for anti-inflammatory therapeutics. Several studies have reported that xanthohumol (XN), an anti-inflammatory natural product from hops and beer, can block the TLR4 signaling by binding to MD-2 directly. However, the interaction between MD-2 and XN remains unknown. Herein, our work aims at characterizing interactions between MD-2 and XN. Using a combination of experimental and theoretical modeling analysis, we found that XN can embed into the hydrophobic pocket of MD-2 and form two stable hydrogen bonds with residues ARG-90 and TYR-102 of MD-2. Moreover, we confirmed that ARG-90 and TYR-102 were two necessary residues during the recognition process of XN binding to MD-2. Results from this study identified the atomic interactions between the MD-2 and XN, which will contribute to future structural design of novel MD-2-targeting molecules for the treatment of inflammatory diseases.

Twitter Demographics

The data shown below were collected from the profile of 1 tweeter who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 26 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 26 100%

Demographic breakdown

Readers by professional status Count As %
Student > Master 6 23%
Student > Ph. D. Student 5 19%
Researcher 5 19%
Student > Bachelor 2 8%
Student > Doctoral Student 2 8%
Other 4 15%
Unknown 2 8%
Readers by discipline Count As %
Chemistry 6 23%
Pharmacology, Toxicology and Pharmaceutical Science 5 19%
Agricultural and Biological Sciences 4 15%
Biochemistry, Genetics and Molecular Biology 3 12%
Computer Science 1 4%
Other 4 15%
Unknown 3 12%

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 13 February 2016.
All research outputs
#5,408,163
of 7,187,728 outputs
Outputs from Drug Design, Development and Therapy
#490
of 940 outputs
Outputs of similar age
#222,664
of 320,712 outputs
Outputs of similar age from Drug Design, Development and Therapy
#49
of 86 outputs
Altmetric has tracked 7,187,728 research outputs across all sources so far. This one is in the 13th percentile – i.e., 13% of other outputs scored the same or lower than it.
So far Altmetric has tracked 940 research outputs from this source. They receive a mean Attention Score of 3.1. This one is in the 33rd percentile – i.e., 33% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 320,712 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 16th percentile – i.e., 16% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 86 others from the same source and published within six weeks on either side of this one. This one is in the 30th percentile – i.e., 30% of its contemporaries scored the same or lower than it.