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Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies

Overview of attention for article published in Drug Design, Development and Therapy, April 2015
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Mentioned by

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1 Google+ user

Citations

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10 Dimensions

Readers on

mendeley
24 Mendeley
Title
Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies
Published in
Drug Design, Development and Therapy, April 2015
DOI 10.2147/dddt.s79784
Pubmed ID
Authors

S. Sikander Azam, Mirza Hammad

Abstract

Wnt-4 (wingless mouse mammary tumor virus integration site-4) protein is involved in many crucial embryonic pathways regulating essential processes. Aberrant Wnt-4 activity causes various anomalies leading to gastric, colon, or breast cancer. Wnt-4 is a conserved protein in structure and sequence. All Wnt proteins contain an unusual fold comprising of a thumb (or N-terminal domain) and index finger (or C-terminal domain) bifurcated by a palm domain. The aim of this study was to identify the best inhibitors of Wnt-4 that not only interact with Wnt-4 protein but also with the covalently bound acyl group to inhibit aberrant Wnt-4 activity. A systematic computational approach was used to analyze inhibition of Wnt-4. Palmitoleic acid was docked into Wnt-4 protein, followed by ligand-based virtual screening of nearly 209,847 compounds; conformer generation of 271 compounds resulted from extensive virtual screening and comparative docking of 10,531 conformers of 271 unique compounds through GOLD (Genetic Optimization for Ligand Docking), AutoDock-Vina, and FRED (Fast Rigid Exhaustive Docking) was subsequently performed. Linux scripts was used to handle the libraries of compounds. The best compounds were selected on the basis of having maximum interactions to protein with bound palmitoleic acid. These represented lead inhibitors in further experiments. Palmitoleic acid is important for efficient Wnt activity, but aberrant Wnt-4 expression can be inhibited by designing inhibitors interacting with both protein and palmitoleic acid.

Mendeley readers

The data shown below were compiled from readership statistics for 24 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Pakistan 1 4%
Unknown 23 96%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 6 25%
Researcher 4 17%
Student > Bachelor 3 13%
Unspecified 2 8%
Other 1 4%
Other 4 17%
Unknown 4 17%
Readers by discipline Count As %
Agricultural and Biological Sciences 7 29%
Biochemistry, Genetics and Molecular Biology 6 25%
Medicine and Dentistry 3 13%
Unspecified 2 8%
Psychology 1 4%
Other 1 4%
Unknown 4 17%

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 30 April 2015.
All research outputs
#15,331,767
of 22,803,211 outputs
Outputs from Drug Design, Development and Therapy
#965
of 2,083 outputs
Outputs of similar age
#157,789
of 264,677 outputs
Outputs of similar age from Drug Design, Development and Therapy
#39
of 82 outputs
Altmetric has tracked 22,803,211 research outputs across all sources so far. This one is in the 22nd percentile – i.e., 22% of other outputs scored the same or lower than it.
So far Altmetric has tracked 2,083 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 6.2. This one is in the 44th percentile – i.e., 44% 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 264,677 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 31st percentile – i.e., 31% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 82 others from the same source and published within six weeks on either side of this one. This one is in the 47th percentile – i.e., 47% of its contemporaries scored the same or lower than it.