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http://krishi.icar.gov.in/jspui/handle/123456789/73208
Title: | Characterization, molecular docking, dynamics simulation and metadynamics of kisspeptin receptor with kisspeptin. |
Other Titles: | Not Available |
Authors: | Rather MA*, Basha SH, Bhat IA, Sharma N, Pawar NP, Badhe M, Sundaray JK, Sharma R |
ICAR Data Use Licennce: | http://krishi.icar.gov.in/PDF/ICAR_Data_Use_Licence.pdf |
Author's Affiliated institute: | ICAR: Central Institute of Fisheries Education |
Published/ Complete Date: | 2017-03-11 |
Project Code: | Not Available |
Keywords: | Kisspeptin receptor ORF Homology modelling Docking Molecular dynamics |
Publisher: | ELSEVIER |
Citation: | Not Available |
Series/Report no.: | Not Available; |
Abstract/Description: | We report molecular characterization of the kisspeptin receptor (kiss1r), an essential gatekeeper for reproduction and onset of puberty in vertebrates. The full-length cDNA sequence of kiss1r is 1786 bp which consist of 5∗ UTR (untranslated region) 261 bp, 3∗ UTR of 424 bp and open reading frame of 1101 encoding a putative protein of 366 amino acids. Basal tissue expression pattern of kiss1r mRNA revealed that it is mainly expressed in the brain and testis. We also report the structure of the kiss1r, along with plausible activation mechanism of this receptor by kisspeptin using computational modelling and dynamic simulation approach of multiple 100 ns of timescale. A present modelling and simulations stud- ies shed light on the molecular level of interaction, suggesting that direct hydrogen bonds between ASN4, SER5, GLY7, ARG9 and PHE10 of kisspeptin and TRP7, ASN8, GLU11, ILE17, ASN19 and TYR183 of kiss1r could be crucial role players in initial binding of receptor and the kisspeptin towards allosteric modulatory effects of kisspeptin on the receptor. To the best our knowledge, this is the first report on computational modelling and molecular dynamic simulations of kiss1r in animals shedding light on its possible mode of activation. |
Description: | Not Available |
ISSN: | Not Available |
Type(s) of content: | Research Paper |
Sponsors: | Not Available |
Language: | English |
Name of Journal: | International Journal of Biological Macromolecules |
Journal Type: | International |
NAAS Rating: | 9.67 |
Impact Factor: | 6.953 |
Volume No.: | 101 |
Page Number: | 241-253 |
Name of the Division/Regional Station: | Not Available |
Source, DOI or any other URL: | Not Available |
URI: | http://krishi.icar.gov.in/jspui/handle/123456789/73208 |
Appears in Collections: | FS-CIFE-Publication |
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