Isolation and structural characterisation of a novel pentacyclic saponin from Lomelosia stellata with in silico antifebrile and anti-inflammatory insights and in vivo antipyretic evaluation of the n-butanol extract.

A new pentacyclic saponin named Lomelosin A (1), along with three known compounds (2-4), were isolated from the n-butanol extract of Lomelosia stellata. Their structures were identified through spectroscopic analysis (1H- and 13C-NMR, COSY, HSQC, TOCSY, NOESY and HMBC) and mass spectroscopy (HRESI-MS). Moreover, their molecular docking, pharmacokinetic and toxic parameters were studied. In addition, the in vivo antipyretic activity of the n-butanol extract was evaluated using the Brewer's yeast-induced pyrexia model. The results showed that all the isolated compounds had excellent binding affinity. The isolates exhibited potential toxicity, but they did not show any hepatotoxicity, mutagenicity or cytotoxicity. Moreover, the administration of the n-butanol extract at 75 mg/kg significantly alleviated pyrexia. This work demonstrates that L. stellata species possesses remarkable antipyretic potential in vivo. The combined structural elucidation, pharmacokinetic studies, and molecular docking suggest that the isolated compounds, particularly Lomelosin A, warrant further investigation as potential therapeutic agents.