Integrating In Silico Prediction Methods, Molecular Docking, and Molecular Dynamics Simulation to Predict the Impact of ALK Missense Mutations in Structural Perspective

Joint Authors

Zhu, Hailong
Priya Doss, C. George
Chakraborty, Chiranjib
Chen, Luonan

Source

BioMed Research International

Issue

Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-14, 14 p.

Publisher

Hindawi Publishing Corporation

Publication Date

2014-06-26

Country of Publication

Egypt

No. of Pages

14

Main Subjects

Medicine

Abstract EN

Over the past decade, advancements in next generation sequencing technology have placed personalized genomic medicine upon horizon.

Understanding the likelihood of disease causing mutations in complex diseases as pathogenic or neutral remains as a major task and even impossible in the structural context because of its time consuming and expensive experiments.

Among the various diseases causing mutations, single nucleotide polymorphisms (SNPs) play a vital role in defining individual’s susceptibility to disease and drug response.

Understanding the genotype-phenotype relationship through SNPs is the first and most important step in drug research and development.

Detailed understanding of the effect of SNPs on patient drug response is a key factor in the establishment of personalized medicine.

In this paper, we represent a computational pipeline in anaplastic lymphoma kinase (ALK) for SNP-centred study by the application of in silico prediction methods, molecular docking, and molecular dynamics simulation approaches.

Combination of computational methods provides a way in understanding the impact of deleterious mutations in altering the protein drug targets and eventually leading to variable patient’s drug response.

We hope this rapid and cost effective pipeline will also serve as a bridge to connect the clinicians and in silico resources in tailoring treatments to the patients’ specific genotype.

American Psychological Association (APA)

Priya Doss, C. George& Chakraborty, Chiranjib& Chen, Luonan& Zhu, Hailong. 2014. Integrating In Silico Prediction Methods, Molecular Docking, and Molecular Dynamics Simulation to Predict the Impact of ALK Missense Mutations in Structural Perspective. BioMed Research International،Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-506218

Modern Language Association (MLA)

Priya Doss, C. George…[et al.]. Integrating In Silico Prediction Methods, Molecular Docking, and Molecular Dynamics Simulation to Predict the Impact of ALK Missense Mutations in Structural Perspective. BioMed Research International No. 2014 (2014), pp.1-14.
https://search.emarefa.net/detail/BIM-506218

American Medical Association (AMA)

Priya Doss, C. George& Chakraborty, Chiranjib& Chen, Luonan& Zhu, Hailong. Integrating In Silico Prediction Methods, Molecular Docking, and Molecular Dynamics Simulation to Predict the Impact of ALK Missense Mutations in Structural Perspective. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-14.
https://search.emarefa.net/detail/BIM-506218

Data Type

Journal Articles

Language

English

Notes

Includes bibliographical references

Record ID

BIM-506218