Title

Identification of novel inhibitor targeting Fyn kinase using molecular docking analysis

Authors

N. Dharani1, K. Langeswaran2* & S. Santhoshkumar3

Affiliation

1Department of Biotechnology and Bioinformatics, Bishop Heber College, Bharathidasan University, Tiruchirapalli, Tamil Nadu, India; 2Cancer Genetics & Molecular Biology Laboratory, Department of Bioinformatics, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India; 3Department of Computer Science, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India

Email

Dr. V. K. Langeswaran - Email: dr.langeswaran@gmail.com; *Corresponding author

Article Type

Research Article

Date

Received May 21, 2019; Accepted June 3, 2019; Published June 15, 2019

Identification of tyrosine Fyn kinase inhibitor is recognized as an effective and feasible therapeutic measure in reducing consequences of memory loss disorder Alzheimer's. The present investigation has been attempted with an objective to find out a novel potent inhibitor with similar homological structure to Fyn kinase using structure based in silico screening measure. Such derived structure was compared with natural data base pool and were systematically analyzed. Ligand based interaction was also tested and evaluated. We applied a molecular dynamic simulation technique to validate the stability of the identified complexes and to understand the ligand binding mechanism. Results provide information on the characteristics of novel and potent inhibitor for tyrosinase Fyn kinase protein so as to develop an innovative strategy to treat AD.

Keywords

Tyrosine fyn kinase, ligand binding, dynamic simulation

Citation

Dharani et al. Bioinformation 15(6): 419-424 (2019)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.