Homology Modelling Of Auxin Induced Glutathione STransferases from Prosopis Juliflora
Journal Title: International Journal of Business and Management Invention - Year 2017, Vol 6, Issue 7
Abstract
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.
Authors and Affiliations
Kamlesh Pareek, J C Tewari, Shiran K
Keywords
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