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Homology Modelling of Auxin Induced Glutathione S-Transferases from Prosopis Juliflora

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Title Homology Modelling of Auxin Induced Glutathione S-Transferases from Prosopis Juliflora
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Creator Kamlesh Pareek
J C Tewari
Shiran K
 
Subject Active site, Glutathione S-transferases, homology modeling In-Silico docking, Prosopis juliflora
 
Description Not Available
Prosopis juliflora (Swartz) DC, fast growing, nitrogen-fixing and tolerant to arid conditions and saline soils. Glutathione S-transferases (GSTs) play roles in both normal cellular metabolisms as well as in the detoxification of a wide variety of xenobiotic compounds, and they have been intensively studied with regard to herbicide detoxification in plants. The present study deduced the homology modeling of target sequence from Prosopis Juliflora (gi|189031607|gb|ACD74942.1|) and obtain best template protein sequence (3MOF) from Protein Data Bank. The amino acid primary structure analyses done by using “Bio-edit” and Secondary structure prediction validate by using chimera and Ramachandran plot. The bioinformatics tools have been used to identify best cavity 6.8 with 13 sites to binding GSH ligand. The proposed model further explore for in In-Silico docking with Argus lab engine with minimum energy; -9.85288 k/mol and further validated with help of Hex dock engine with fitness electrostatics calculation -257.64 and web server ME-Dock for maximum entropy based docking found 7.47857 kcl/mol. The result obtain form different In-Silico tools for dock GSH ligand into template protein are useful in homology modeling, simulation and structural based virtual screening for novel drug designing
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Date 2019-05-27T09:55:38Z
2019-05-27T09:55:38Z
2017-07-01
 
Type Research Paper
 
Identifier Not Available
Not Available
http://krishi.icar.gov.in/jspui/handle/123456789/19916
 
Language English
 
Relation Not Available;
 
Publisher Not Available