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
Formato:	article
Lenguaje:	EN
Publicado:	SpringerOpen 2021
Materias:	Anti-inflammatory Anti-oxidant In silico In vitro Cyclooxygenase Science Q
Acceso en línea:	https://doaj.org/article/aa6c5eb0dc9d4c969d2ce65b13e940e7
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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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Sterols from Jatropha tanjorensis leaves exhibit anti-inflammatory potential: in vitro and in silico studies

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