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The Insilico Molecular Docking of the Compounds of the Crude Extract of Dacryodes Edulis Leaves Against Alpha Enolase to Assess Its Activities on the Treatment of Bacterial Pneumonia
Subject area: Science,Engineering and Technology · Area of research: Chemistry
Abstract
The leaves of Dacryodes edulis (Burseraceae) is an herb used locally for the treatment or management of earache, respiratory problems, and generalized pneumococcal diseases. The identification of the phytochemical components, and their inhibitory activities on alpha- enolase on the development of Streptococcus pneumonia has been studied. The leaves were screened for phytochemicals using gas chromatography-mass spectroscopy (GC-MS), and Fourier-transform infrared spectroscopy (FTIR). in silico molecular docking against alpha-enolase via reduction of the plasminogen binding of Streptococcus pneumoniae was used to access the inhibitory effect of the leaves sample on the development of Streptococcus pneumonia. Results revealed presence of alkaloids, flavonoids, tannins, phenols, saponins and terpenoids. Major functional groups were O-H, and N?H groups. Out of 12 compounds with medicinal properties, molecular docking revealed 7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (-4.3 kcal/mol), Viridiflorol (-4.1 kcal/mol), and 2,4-Di-tert-butylphenol (-4.1kcal/mol) as promising inhibitors that fabricates finest attractive charges and conventional hydrogen bonds with Streptococcus pneumoniae alpha-enolase compared with standard antibiotic Amoxicillin (-5.0Kcal/mol). These compounds could inhibit the role of alpha-enolase to restrain plasminogen binding, invasion and progression of Streptococcus pneumoniae.
Keywords
Bioactive compounds, phytochemical, Dacryodes edulis, chromatography, pneumococcal
How to cite this paper
@article{1704863,
author = {Ikpa Chinyere Benardette Chinaka, Maduka Tochukwu Oluwatosin, Ikezu, Ujupaul JM, Adindu, Blessing, Ugariogu Sylvester},
title = {The Insilico Molecular Docking of the Compounds of the Crude Extract of Dacryodes Edulis Leaves Against Alpha Enolase to Assess Its Activities on the Treatment of Bacterial Pneumonia},
journal = {Iconic Research And Engineering Journals},
year = {2023},
volume = {7},
number = {1},
pages = {573-585},
issn = {2456-8880},
url = {https://www.irejournals.com/formatedpaper/1704863.pdf},
abstract = {The leaves of Dacryodes edulis (Burseraceae) is an herb used locally for the treatment or management of earache, respiratory problems, and generalized pneumococcal diseases. The identification of the phytochemical components, and their inhibitory activities on alpha- enolase on the development of Streptococcus pneumonia has been studied. The leaves were screened for phytochemicals using gas chromatography-mass spectroscopy (GC-MS), and Fourier-transform infrared spectroscopy (FTIR). in silico molecular docking against alpha-enolase via reduction of the plasminogen binding of Streptococcus pneumoniae was used to access the inhibitory effect of the leaves sample on the development of Streptococcus pneumonia. Results revealed presence of alkaloids, flavonoids, tannins, phenols, saponins and terpenoids. Major functional groups were O-H, and N?H groups. Out of 12 compounds with medicinal properties, molecular docking revealed 7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (-4.3 kcal/mol), Viridiflorol (-4.1 kcal/mol), and 2,4-Di-tert-butylphenol (-4.1kcal/mol) as promising inhibitors that fabricates finest attractive charges and conventional hydrogen bonds with Streptococcus pneumoniae alpha-enolase compared with standard antibiotic Amoxicillin (-5.0Kcal/mol). These compounds could inhibit the role of alpha-enolase to restrain plasminogen binding, invasion and progression of Streptococcus pneumoniae.},
keywords = {Bioactive compounds, phytochemical, Dacryodes edulis, chromatography, pneumococcal},
month = {July},
}