In-silico and in-vivo evaluation of the cardiovascular effects of five Leonotis leonurus diterpenes

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dc.contributor.authorObikeze, Kenechukwu
dc.contributor.authorSasi, Abd-Alkarim
dc.contributor.authorRaji, Ismaila
dc.date.accessioned2023-01-27T07:51:04Z
dc.date.available2023-01-27T07:51:04Z
dc.date.issued2023
dc.description.abstractLeonotis leonurus extracts and compounds have been extensively studied for pharmacological effects. However, most of the diterpenes isolated from the plant have not been evaluated as possible contributors to the cardiovascular effects of the plant extracts. In this study, computational modelling was used to predict the drug-likeness and cardiovascular effects of five diterpenoids of L. Leonurus. The predicted results were then subsequently compared with results obtained from anaesthetized normotensive Wistar rats to determine the most likely lead compounds for drug development. Molecular operating environment (MOE) software was used to assess the drug-likeness and molecular docking interactions between the diterpenoids and the angiotensin-converting enzyme (ACE) (PDB; 2 × 8Z), the angiotensin receptor (AT1) (PDB; 3R8A) and the β1 receptor (PDB; 2Y04). The predicted cardiovascular effects were assessed in the anaesthetized normotensive Wistar rat model.en_US
dc.identifier.issn2468-2276
dc.identifier.uri10.1016/j.sciaf.2022.e01510
dc.identifier.urihttp://hdl.handle.net/10566/8311
dc.language.isoenen_US
dc.publisherObikeze, K. et al. (2023). In-silico and in-vivo evaluation of the cardiovascular effects of five Leonotis leonurus diterpenes. Scientific African, 19, e01510. 10.1016/j.sciaf.2022.e01510en_US
dc.subjectBlood pressureen_US
dc.subjectDiterpenesen_US
dc.subjectHispanolen_US
dc.subjectLeonotis leonurusen_US
dc.subjectMarrubiinen_US
dc.subjectPlantsen_US
dc.titleIn-silico and in-vivo evaluation of the cardiovascular effects of five Leonotis leonurus diterpenesen_US
dc.typeArticleen_US

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