In silico analysis of plants biomass phytochemicals against β2 adrenergic receptor

Bioactive metabolites derived from the medicinal plant or herbs biomass have gained more attention in recent biomedicine and pharmacotherapy. Formulation of plant-based medicine as polyherbal forms are thought to have greater pharmacological effects than single herbs; they are presently used in the majority of herbal-based products rather than single herbs. The present study attempts to investigate the anti-asthmatic activity of the herbal consortium, which includes Euphorbia hirta, Aerva lanata linn, Solanum trilobatum, Leucas aspera, and Aegle marmelos via in silico approach. The active particle of herbal extract consortium was readily extracted with methanol, and the phytochemical constituents were characterized by GC-MS analysis. Extracted metabolite consortium was screened for various phytochemical constituents like total phenol flavonoids followed by measuring antioxidant activity. Docking study was carried out with phytochemical constituents that were obtained with beta-2 adrenoreceptor. beta 2AR docking interaction with flavone revealed binding energy of -6.7 kcal/mol, indicating positive binding and possible inhibition. The present study suggests the possible utilization of plant-based metabolite consortium proposed in this investigation as an effective biomedicine against asthma.

Automated summary

Bioactive metabolites derived from medicinal plants or herbs have gained attention in biomedicine and pharmacotherapy. Polyherbal forms of plant-based medicine are believed to have greater effects and are commonly used in herbal-based products. This study investigates the anti-asthmatic activity of a herbal consortium including Euphorbia hirta, Aerva lanata linn, Solanum trilobatum, Leucas aspera, and Aegle marmelos using in silico approach. Results suggest the potential use of this herbal metabolite consortium as an effective biomedicine against asthma.