Computational analysis of neem plant (Azadirachta indica) as mosquito repellent
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Date
2023-11-23
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UMT Lahore
Abstract
This study was designed for identification of phytochemicals as potential drug candidates targeting five proteins (odorant binding protein, Sterol carrier protein-2 like-3, Carboxypeptidase, Glutathione Transferase, Pyruvate kinase) of Mosquito used in our study. We used online tools to obtain the protein’s structure. Some online servers and tools are RCSB PDB (For getting the 3d structure of the protein), NCBI (For saving protein’s FASTA format), Chimera 1.15 (For the preparation of protein), Discovery Studio Visualizer (Tool used for visualization of protein complexes). Neem plant contain different phytochemicals that can inhabit or kill mosquito. The protein that we use in our study are odorant binding protein, Sterol carrier protein-2 like-3, Carboxypeptidase, Glutathione Transferase, Pyruvate kinase. Maximum phytochemical shows their effect against all five proteins used in our study. Promising results were find out, phytochemicals Nimbaflavone, Gedunin and Rutin show promising result for Odorant binding protein. Phytochemicals Nimolinone, Meliantriol, Quercetin and Rutin show promising result for Sterol carrier protein-2 like-3 chain A. Meldenin, Nimbaflavone, Meliantriol and Rutin show promising result for Carboxipeptidase protein. Similarly, Meliantriol and Rutin show encouraging result for Glutathione Transferase protein. Azadirachtol, Nimbaflavone and rutin show favourable result for Pyruvate Kinase protein. Rutin is the most prominent phytochemical in this study because it shows promising result against all the mosquito proteins.