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In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics

Overview of attention for article published in BMC Complementary Medicine and Therapies, March 2015
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Title
In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics
Published in
BMC Complementary Medicine and Therapies, March 2015
DOI 10.1186/s12906-015-0579-6
Pubmed ID
Authors

Lianhong Yin, Lingli Zheng, Lina Xu, Deshi Dong, Xu Han, Yan Qi, Yanyan Zhao, Youwei Xu, Jinyong Peng

Abstract

Inverse docking technology has been a trend of drug discovery, and bioinformatics approaches have been used to predict target proteins, biological activities, signal pathways and molecular regulating networks affected by drugs for further pharmacodynamic and mechanism studies. In the present paper, inverse docking technology was applied to screen potential targets from potential drug target database (PDTD). Then, the corresponding gene information of the obtained drug-targets was applied to predict the related biological activities, signal pathways and processes networks of the compound by using MetaCore platform. After that, some most relevant regulating networks were considered, which included the nodes and relevant pathways of dioscin. 71 potential targets of dioscin from humans, 7 from rats and 8 from mice were screened, and the prediction results showed that the most likely targets of dioscin were cyclin A2, calmodulin, hemoglobin subunit beta, DNA topoisomerase I, DNA polymerase lambda, nitric oxide synthase and UDP-N-acetylhexosamine pyrophosphorylase, etc. Many diseases including experimental autoimmune encephalomyelitis of human, temporal lobe epilepsy of rat and ankylosing spondylitis of mouse, may be inhibited by dioscin through regulating immune response alternative complement pathway, G-protein signaling RhoB regulation pathway and immune response antiviral actions of interferons, etc. The most relevant networks (5 from human, 3 from rat and 5 from mouse) indicated that dioscin may be a TOP1 inhibitor, which can treat cancer though the cell cycle- transition and termination of DNA replication pathway. Dioscin can down regulate EGFR and EGF to inhibit cancer, and also has anti-inflammation activity by regulating JNK signaling pathway. The predictions of the possible targets, biological activities, signal pathways and relevant regulating networks of dioscin provide valuable information to guide further investigation of dioscin on pharmacodynamics and molecular mechanisms, which also suggests a practical and effective method for studies on the mechanism of other chemicals.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 81 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Mexico 1 1%
United States 1 1%
Sri Lanka 1 1%
Unknown 78 96%

Demographic breakdown

Readers by professional status Count As %
Student > Bachelor 15 19%
Student > Ph. D. Student 13 16%
Researcher 11 14%
Student > Postgraduate 11 14%
Student > Master 9 11%
Other 16 20%
Unknown 6 7%
Readers by discipline Count As %
Medicine and Dentistry 29 36%
Agricultural and Biological Sciences 15 19%
Biochemistry, Genetics and Molecular Biology 12 15%
Chemistry 5 6%
Computer Science 4 5%
Other 8 10%
Unknown 8 10%
Attention Score in Context

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 23 October 2015.
All research outputs
#18,429,163
of 22,830,751 outputs
Outputs from BMC Complementary Medicine and Therapies
#2,511
of 3,631 outputs
Outputs of similar age
#187,535
of 257,872 outputs
Outputs of similar age from BMC Complementary Medicine and Therapies
#58
of 77 outputs
Altmetric has tracked 22,830,751 research outputs across all sources so far. This one is in the 11th percentile – i.e., 11% of other outputs scored the same or lower than it.
So far Altmetric has tracked 3,631 research outputs from this source. They typically receive more attention than average, with a mean Attention Score of 8.5. This one is in the 18th percentile – i.e., 18% 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 257,872 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 15th percentile – i.e., 15% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 77 others from the same source and published within six weeks on either side of this one. This one is in the 15th percentile – i.e., 15% of its contemporaries scored the same or lower than it.