Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies

Abstract Background Inflammation has continued to raise global challenges and Jatropha tanrogenesis (JT) is used traditionally for its management. In this study, the in silico and in vitro anti-inflammatory potential of bioactive sterols were investigated. The active compounds of ethanol extract of...

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Autor principal: Damilola Alex Omoboyowa
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Publicado: SpringerOpen 2021
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spelling oai:doaj.org-article:aa6c5eb0dc9d4c969d2ce65b13e940e72021-11-21T12:39:16ZSterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies10.1186/s42269-021-00658-z2522-8307https://doaj.org/article/aa6c5eb0dc9d4c969d2ce65b13e940e72021-11-01T00:00:00Zhttps://doi.org/10.1186/s42269-021-00658-zhttps://doaj.org/toc/2522-8307Abstract Background Inflammation has continued to raise global challenges and Jatropha tanrogenesis (JT) is used traditionally for its management. In this study, the in silico and in vitro anti-inflammatory potential of bioactive sterols were investigated. The active compounds of ethanol extract of JT leaves were identified using Gas chromatography-mass spectrometry (GC.MS) followed by molecular docking against COX-1 and COX-2 using maestro Schrödinger and pharmacokinetic profile prediction using webserver tools. The in vitro anti-inflammatory and anti-oxidantive potentials were investigated using standard protocols. Results GC–MS analysis of ethanol extract of JT leaves revealed the presence of eight (8) compounds, the molecular docking analysis of these compounds demonstrated varying degrees of binding affinities against the target proteins. The extract exhibit concentration dependent anti-oxidant activity with IC50 of 106.383 and 6.00 Fe2+E/g for DPPH and FRAP respectively. The extract showed significant (P < 0.05) reduction in percentage inhibition of hemolysis at 200 µg/ml while non-significant (P > 0.05) increase was observed at 600 and 1000 µg/ml compared to 200 µg/ml of diclofenac sodium. At lower concentration of 25 and 50 µg/ml, percentage inhibition of albumin denaturation was significantly (P < 0.05) higher compared to 200 µg/ml of diclofenac sodium. Drug likeness prediction and ADME/toxicity screening showed that the bioactive compounds possess no side effects. Conclusion The results obtained in this study suggested that, JT leaves possess anti-inflammatory activity and could be used as a source of new drug.Damilola Alex OmoboyowaSpringerOpenarticleAnti-inflammatoryAnti-oxidantIn silicoIn vitroCyclooxygenaseScienceQENBulletin of the National Research Centre, Vol 45, Iss 1, Pp 1-13 (2021)
institution DOAJ
collection DOAJ
language EN
topic Anti-inflammatory
Anti-oxidant
In silico
In vitro
Cyclooxygenase
Science
Q
spellingShingle Anti-inflammatory
Anti-oxidant
In silico
In vitro
Cyclooxygenase
Science
Q
Damilola Alex Omoboyowa
Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
description Abstract Background Inflammation has continued to raise global challenges and Jatropha tanrogenesis (JT) is used traditionally for its management. In this study, the in silico and in vitro anti-inflammatory potential of bioactive sterols were investigated. The active compounds of ethanol extract of JT leaves were identified using Gas chromatography-mass spectrometry (GC.MS) followed by molecular docking against COX-1 and COX-2 using maestro Schrödinger and pharmacokinetic profile prediction using webserver tools. The in vitro anti-inflammatory and anti-oxidantive potentials were investigated using standard protocols. Results GC–MS analysis of ethanol extract of JT leaves revealed the presence of eight (8) compounds, the molecular docking analysis of these compounds demonstrated varying degrees of binding affinities against the target proteins. The extract exhibit concentration dependent anti-oxidant activity with IC50 of 106.383 and 6.00 Fe2+E/g for DPPH and FRAP respectively. The extract showed significant (P < 0.05) reduction in percentage inhibition of hemolysis at 200 µg/ml while non-significant (P > 0.05) increase was observed at 600 and 1000 µg/ml compared to 200 µg/ml of diclofenac sodium. At lower concentration of 25 and 50 µg/ml, percentage inhibition of albumin denaturation was significantly (P < 0.05) higher compared to 200 µg/ml of diclofenac sodium. Drug likeness prediction and ADME/toxicity screening showed that the bioactive compounds possess no side effects. Conclusion The results obtained in this study suggested that, JT leaves possess anti-inflammatory activity and could be used as a source of new drug.
format article
author Damilola Alex Omoboyowa
author_facet Damilola Alex Omoboyowa
author_sort Damilola Alex Omoboyowa
title Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
title_short Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
title_full Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
title_fullStr Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
title_full_unstemmed Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
title_sort sterols from jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies
publisher SpringerOpen
publishDate 2021
url https://doaj.org/article/aa6c5eb0dc9d4c969d2ce65b13e940e7
work_keys_str_mv AT damilolaalexomoboyowa sterolsfromjatrophatanjorensisleavesexhibitantiinflammatorypotentialinvitroandinsilicostudies
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