Journal of ethnopharmacology · 2026
Antimalarial compounds from Solanum nigrum: In vitro antiplasmodial evaluation and network pharmacology-based investigation of host immunomodulatory mechanisms.
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Tapche Fossouo Appolinaire, Happi Gervais Mouthé, Tadjong Tcho Alain, Zemnou Cromwel Tepap, Kemayou Guy Paulin Mouthé, Wanlo Mbeck Prosper, Ngakam Ramelle, Zanchi Fernando Berton, Happi Emmanuel Ngeufa, Wansi Jean Duplex
Аннотация
ETHNOPHARMACOLOGICAL RELEVANCE: Malaria is a significant global health issue, made worse by the growing resistance of Plasmodium falciparum to current antimalarial drugs. This highlights the need for new, safe, and multi-target therapeutic agents. Solanum nigrum L., a wild vegetable used in traditional herbal medicine in Cameroon, helps treat several ailments, including some cancers, urinary issues, malaria, fever, and joint pain. However, we have not studied this plant in depth to identify its potential antimalarial extracts and compounds or understand their action mechanisms.
AIM OF THE STUDY: To isolate and identify the antiplasmodial compounds from S. nigrum and assess how well they inhibit the malaria parasite Plasmodium falciparum through an integrated strategy combining in vitro tests, network pharmacology, and computer-based approaches.
MATERIALS AND METHODS: The methanolic extract of the aerial parts of S. nigrum was purified by an antiplasmodial-guided fractionation. The isolated compounds were identified using their spectroscopic data, screened for their antiplasmodial potencies and subjected to network pharmacology, molecular docking and molecular dynamics to identify the hits and their possible effects on multiple targets.
RESULTS: A total of sixteen compounds, mainly flavonoids, steroids, triterpenoids, phenolic acids, and fatty acids have been isolated. Among them, quercetin and 4'-hydroxywogonin exhibited the most promising antiplasmodial activities from the most active fraction, with IC50 values in the low micromolar range. Network pharmacology analysis identified malaria-related immune and inflammatory pathways involved in inflammation and oxidative stress. This analysis supports a multi-target mode of action that may contribute to the therapeutic effects of S. nigrum beyond direct parasite killing. Molecular docking revealed strong binding affinities between the most active compounds and core protein targets, which were further validated by molecular dynamics simulations demonstrating stable protein-ligand interactions over 100 ns.
CONCLUSIONS: Overall, this integrative study provides mechanistic insights into the antimalarial effects of S. nigrum and highlights its bioactive constituents as promising multi-target lead compounds for future antimalarial drug development.
AIM OF THE STUDY: To isolate and identify the antiplasmodial compounds from S. nigrum and assess how well they inhibit the malaria parasite Plasmodium falciparum through an integrated strategy combining in vitro tests, network pharmacology, and computer-based approaches.
MATERIALS AND METHODS: The methanolic extract of the aerial parts of S. nigrum was purified by an antiplasmodial-guided fractionation. The isolated compounds were identified using their spectroscopic data, screened for their antiplasmodial potencies and subjected to network pharmacology, molecular docking and molecular dynamics to identify the hits and their possible effects on multiple targets.
RESULTS: A total of sixteen compounds, mainly flavonoids, steroids, triterpenoids, phenolic acids, and fatty acids have been isolated. Among them, quercetin and 4'-hydroxywogonin exhibited the most promising antiplasmodial activities from the most active fraction, with IC50 values in the low micromolar range. Network pharmacology analysis identified malaria-related immune and inflammatory pathways involved in inflammation and oxidative stress. This analysis supports a multi-target mode of action that may contribute to the therapeutic effects of S. nigrum beyond direct parasite killing. Molecular docking revealed strong binding affinities between the most active compounds and core protein targets, which were further validated by molecular dynamics simulations demonstrating stable protein-ligand interactions over 100 ns.
CONCLUSIONS: Overall, this integrative study provides mechanistic insights into the antimalarial effects of S. nigrum and highlights its bioactive constituents as promising multi-target lead compounds for future antimalarial drug development.