SCREENING OF PHYTOCHEMICALS AGAINST CYSTEINYL LEUKOTRIENE RECEPTOR 1 THROUGH MOLECULAR DOCKING
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Author:
NAMRAH NOOR
Citable URI :
https://vspace.vu.edu.pk/detail.aspx?id=128
Publisher :
Virtual University
Date Issued:
4/23/2018 12:00:00 AM
Abstract
Asthma is one of the most frequent disorders being observed in clinical practices. Cysteinyl
leukotrienes (CysLTs) are the main mediators of the entire allergic reactions and also a vital part
of the inflammatory reactions that lead to the usual symptoms of asthma. Montelukast and
Zafirlukast are known leukotriene receptor antagonists prescribed in asthma treatment. However,
these fall short as mono therapy and are frequently used in combination with inhaled
glucocorticosteroids with or without long acting beta 2 agonists. Therefore, it is of interest to
apply ligand and structure based virtual screening strategies to identify compounds better than
lead compounds i.e., Montelukast and Zafirlukast. The aim of the present study was to identify the novel phytochemicals of anti-asthma plants against cysteinyl leukotriene receptor 1, which
had more antagonizing potential as compared to Montelukast and Zafirlukast and could be
helpful to control the asthma disease. For this purpose, 1216 phytochemicals of 54 medicinal
plants against cysteinyl leukotriene receptor 1 were screened. Montelukast and Zafirlukast were
selected as lead compounds. Phytochemicals were retrieved from NCBI’s PubChem database
and grouped and docked at the antagonist binding site of cysteinyl leukotriene receptor 1. Results
showed that five phytochemicals (Phytic acid, Heptacosanol, Triacontane, Nonacosan-15-one, n-
hentriacontanol of plants solanum nigrum, tinospora cordifolia, pipper betel linn, tinospora
cordifolia and vitex negundo respectively) had higher predicted binding as compared to
Zafirlukast and Montelukast. However, among five identified phytochemicals, the phytic acid
showed highest appreciable S score. Results of this study may be used in computer aided
screening of the drugs against asthma disease.
URI :
https://vspace.vu.edu.pk/details.aspx?id=128
Citation:
Noor, N (2017), SCREENING OF PHYTOCHEMICALS AGAINST CYSTEINYL LEUKOTRIENE RECEPTOR 1 THROUGH MOLECULAR DOCKING. Virtual University of Pakistan(Lahore. Pakistan).
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Final Version
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