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Year : 2020, Volume : 13, Issue : 12
First page : ( 5799) Last page : ( 5805)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2020.01011.2

Gastrotoxicity gene modelling and its binding affinity of docked complex with the ligands of Madhuca longifolia

Jerine S. Peter1, Panchal Nagesh Kishan1, Thomas Mary1, Ashok Gayathri1, Saju Megha Treesa1, Thiagarajan Padma1, Sabina Evan Prince1*

1School of Biosciences and Technology, Vellore Institute of Technology, Vellore-632014Tamil Nadu, India.

*Corresponding Author E-mail: eps674@gmail.com

Online published on 15 February, 2021.


A large percentage of people in the modern society is vastly affected by the damage in gastrointestinal tract by many non-steroidal anti-inflammatory drugs and by the unfortunate lifestyle. The stomach is mainly affected over here by the local effect and the systemic interactions with the secretion in prostaglandin. In comparing with other organs a very few progress has been brought on human related prediction for intestinal toxicity. Single nucleotide polymorphism or SNP modelling is the main aim of the work to remodel the genes that get mutated in gastrotoxicity so that remodelling those genes can help for better binding of those proteins to the ligands and also for generating information about the proteins function.Computer visualization technique is chiefly used for the modelling purpose by taking the 3D structure of the proteins and by looking the SNP database we changes the mutated nucleotide to another nucleotide and checks the binding affinity. Here the nucleotide changed protein sequence is submitted to I-TASSER they will remodel the protein 3D structure so that the new protein model quality is checked through RAM-PAGE. By these a research new protein model for SNP varients was structured. The docking analysis was carried out with the ligands of Madhuca longifolia and structured protein. Among the 29 ligands MI Saponina, MI Saponin B and quercitin 3 glucoside have shown their maximum interaction in most of the receptors. In future, in-vitro and in-vivo studies can be held to make an effective medicine for gastrotoxicity



Gastrotoxicity, SNP, Gene modelling, Madhuca longifolia, Docking analysis.


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