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http://krishi.icar.gov.in/jspui/handle/123456789/60911
Title: | Interaction profiling of growth hormone receptor and growth hormone proteins in Labeo rohita: an insight using molecular modelling and docking approaches |
Authors: | Ajey Kumar Pathak |
Published/ Complete Date: | 2019-8-6 |
Keywords: | Growth hormone,Growth hormone receptor,Homology modeling,Labeo rohita. Protein? protein interaction,Structure prediction |
Publisher: | Not Available |
Citation: | Verma MS, Pathak AK, Tiwari A, Murali S, Kumar R, Nagpure NS, Rashid I, Pati R and Kushwaha B (2019). Interaction profiling of growth hormone receptor and growth hormone proteins in Labeo rohita: an insight using molecular modelling and docking approaches. Journal of Computational Chemistry & Molecu |
Abstract/Description: | To elicit growth and related functions, the interaction of growth hormone receptor (GHR) with growth hormone (GH) is vital as this contact passes the message downstream to the metabolic pathways. The crystal structure of GHR and GH in Labeo rohita is still vague. This study discusses prediction of 3D structures of GHR and GH, validation of predicted structures and binding affinity of GHR with GH. Discovery studio 4.1 software was used for homology modelling and docking of GHR with GH. The best model for GHR (DOPE score: -16527.1) and GH (DOPE score: -17613.3) were used for docking by ZDOCK pro. The docked complex obtained from the interaction of GHR with GH (GHR-GH, ZDOCK score: 19.26) was refined by RDOCK (RDOCK score: -25.642). The findings revealed that GHR-GH complex is stable and interacting amino acids in GHR are R43, E44, I108, D126, E127, D164, R159, W166, W169, and in GH are F3, L45, K49, P61, R64, D116, G128, K172, T175, R178. The interaction of amino acids in the active pockets of complex and its duration provides insight into the actions of GH in Labeo rohita. In addition, docking of GHR with GH provides information about the type of interaction at the binding sites of ligand and receptor and interacting amino acids viz. PHE3, ALA22, TYR98, LEU114, MET145, VAL149, LEU150 and PHE199. Thus, docking of the GHR with GH is useful in understanding the structural information and developing specific receptor antagonists beside providing support in establishing therapeutic approaches in teleost fishes. |
Description: | Not Available |
ISBN: | Not Available |
Type(s) of content: | Research Paper |
Language: | English |
Name of Journal: | Journal of Computational Chemistry & Molecular Modeling |
URI: | http://krishi.icar.gov.in/jspui/handle/123456789/60911 |
Appears in Collections: | FS-CIFE-Publication |
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