title: Exploration of protein-protein interaction effects on α-2-macroglobulin in an inhibition of serine protease through gene expression and molecular simulations studies.
abstract: In Prophenoloxidase (ProPO) cascade, two targets namely serine protease and α-2-macroglobulin are key regulators involved in the defense system of crustaceans. In biological systems, routine role of cell systems requires the understanding in protein-protein interactions through experimental and theoretical concepts, which might yield useful insights into the cellular responses. Response of cells to regulating the immune system is governed by the interactions-involved biomolecular simulations. Unfortunately, studies on the inhibitors (SP and α-2M) that negatively regulate the proPO system or melanization in penaeid shrimp are not yet available. In order to understand how these interactions change the proPO mechanism in Indian white shrimp Fenneropenaeus indicus was determined. In F. indicus, innate immune system is in a sensitive balance of intricate interactions; elucidating these interactions by the integration of in silico and in vitro has great potential. We have determined the expression of both the SP and α-2M enzymes in regulatory mechanism, which are analyzed through qRT-PCR, protein-protein docking, and simulation studies. From this work, we propose a novel approach for studying an organism at the systems level by integrating genome-wide computational analysis and the gene expression data.
authors.affiliation: a Crustacean Molecular Biology and Genomics Lab, Department of Animal Health and Management , Alagappa University , Karaikudi , 630 004 , Tamil Nadu , India .
authors.forename: Jeyachandran
authors.initials: J
authors.lastname: Sivakamavalli
authors.forename: Chandrabose
authors.initials: C
authors.lastname: Selvaraj
authors.forename: Sanjeev Kumar
authors.initials: SK
authors.lastname: Singh
authors.forename: Baskaralingam
authors.initials: B
authors.lastname: Vaseeharan
mesh_terms: D000117:Acetylglucosamine / Q000494:pharmacology; D000818:Animals; D004156:Catechol Oxidase / Q000037:antagonists & inhibitors / Q000378:metabolism*; D003198:Computer Simulation; D004792:Enzyme Precursors / Q000037:antagonists & inhibitors / Q000378:metabolism*; D015870:Gene Expression; D007113:Immunity, Innate; D008024:Ligands; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D033561:Penaeidae / Q000276:immunology / Q000378:metabolism* / Q000382:microbiology; D057057:Serine Proteases / Q000378:metabolism*; D014733:Vibrio; D000511:alpha-Macroglobulins / Q000378:metabolism*
chemical_list: D004792:Enzyme Precursors; D008024:Ligands; D000511:alpha-Macroglobulins; C038451:pro-phenoloxidase; D004156:Catechol Oxidase; D057057:Serine Proteases; D000117:Acetylglucosamine
keywords: molecular simulation; protein–protein interactions; qRT-PCR; serine protease; α-2-macroglobulin