Computational 3d Structure Prediction, Evaluation and Analysis of Pyruvate Dehydrogenase an Effective Target for Filarial Infection by Brugia Pahangi Using Homology Modeling Approach
Year: 2014
Type: article
Abstract: Pyruvate dehydrogenase protein is a part of cellular respiration which helps in maintaining glucose and energy level (ATP) in the cells for their normal functioning. Initially it was reported that Brugia pahangi is a nematode causing filarial infections in animals like dogs and cats. But, in the recent studies, Brugia pahangiis also found to cause filarial infections in Humans, in Kuala Lumpur, Malaysia. By targeting the cellular respiration of this worm this filarial infections can be treated. The three dimensional structure of pyruvate dehydrogenase in B.pahangi will help to target cellular respiration more efficiently. The comparative modeling approach based software Modeller9.13 is used to model three dimensional structure of pyruvate dehydrogenase. The modeled structure was evaluated by Procheck, VADAR, Process, ProSA tools. The Physiochemical properties of this protein are analyzed by APD2 and Protparam software. Enzymatic Cleavage site of this protein is identified by Peptide cutter tool. Active sites in modeled structure are identified by Pocket finder tool fordrug targets.The modeled structure, properties and active sites of this protein will help to design lead molecules which can treat the filarial infections in humans. The structure will also help to understand the working of pyruvate dehydrogenase in betterand efficient manner by identifying the protein interaction networks in Brugia pahangi.
Authors: Shailesh Kumar, Onkar Nath, Sumit Govil, A. N. Pathak
Institutions: Amity University Jaipur, Jaipur National University
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W2186419986