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ISSN 2410-955X - An International Biannual Journal
Comparative Modeling and Protein-Protein Docking analyses to reveal the Potential Binding Pockets of Parkin: A Candidate Parkinson disease
Basit Ali Nasir, Mohsin Ali Nasir, Muhammad Faisal Ikram, Muhammad Waqas, Roha Razaq*
Department of Bioinformatics and Biotechnology, Government College University Faisalabad, Pakistan
Abstract
There has been progressive improvement in computational drug design from last decade. Numerous computer aided compounds has been reported against neurodegenerative disorders. Parkinson disease is a common neurodegenerative disease in humans associated with PRKN encodes Parkin. Parkin is involved in tumor repressing, prevents cells from cancers as growing and dividing exponentially uncontrolled. Almost 200 PRKN mutations have been identified leads to cause Parkinson disease having symptoms of cancers, loss of memory and postural instability. In this research article, 3D structures of parkin were predicted by using comparative modelling approach. The predicted structures were evaluated by using different evaluation tools and 80.60% of overall quality factor. Molecular docking analyses of Parkin and PINK1 were conducted by using PatchDock. The least global energy of -45.35 Kcal/mol was observed having the interacting residues in the binding pocket. The reported interacting residues may help for target specific drug design against parkin. This research article can be a major initiative to predict the therapeutic drug targets against Parkinson disease.
A R T I C L E I N F O
Received
April 02, 2020
Revised
May 19, 2020
Accepted
June 28, 2020
*Corresponding Author
Roha Razaq
E-mail
roharazzaq10@gmail.com
Keywords
Parkinson's disease
PRKN
Parkin
Structure prediction
Protein-protein interaction
Research article
2020 | Volume 6 | Issue 2: Special issue articles: Computational drug designing and molecular docking analyses