In Silico and In Vivo Pharmacological Study of Acmella paniculata Flowers for Anti‐Inflammatory and Antiarthritic Potential DOI
Akshay Shamnewadi, Banappa S. Unger, Partha Palit

et al.

Chemistry & Biodiversity, Journal Year: 2025, Volume and Issue: unknown

Published: May 19, 2025

ABSTRACT Acmella paniculata has been traditionally used in folklore medicine to alleviate pain and manage articular rheumatism. This study explores its potential anti‐inflammatory antiarthritic effects through silico vivo approaches. A. bioactives' mechanisms were elucidated using computational techniques, namely, gene set enrichment analysis, network pharmacology, molecular docking, dynamics (MD) simulations KEGG pathway PyRx, Discovery Studio, GROMACS tools. hydroalcoholic extract (APE) the ethyl acetate fraction (APF) analyzed via LC‒MS for phytochemical profiling. In studies assessed carrageenan‐induced paw edema complete Freund's adjuvant (CFA)‐induced arthritis models Wistar rats. Ferulic acid, isoferulic acetyl aleuritolic acid identified as bioactives that targeted RELA, a key NF‐κB component. Stable interactions confirmed docking MD simulations. verified these compounds APE APF. revealed significant reductions volume, scores, inflammatory markers (CRP, RF, IL‐6, TNF‐α) improved histopathological outcomes APF‐treated groups compared CFA. These findings highlight of multi‐protein modulation, particularly signaling, it can be utilized promising therapeutic rheumatoid arthritis.

Language: Английский

In Silico and In Vivo Pharmacological Study of Acmella paniculata Flowers for Anti‐Inflammatory and Antiarthritic Potential DOI
Akshay Shamnewadi, Banappa S. Unger, Partha Palit

et al.

Chemistry & Biodiversity, Journal Year: 2025, Volume and Issue: unknown

Published: May 19, 2025

ABSTRACT Acmella paniculata has been traditionally used in folklore medicine to alleviate pain and manage articular rheumatism. This study explores its potential anti‐inflammatory antiarthritic effects through silico vivo approaches. A. bioactives' mechanisms were elucidated using computational techniques, namely, gene set enrichment analysis, network pharmacology, molecular docking, dynamics (MD) simulations KEGG pathway PyRx, Discovery Studio, GROMACS tools. hydroalcoholic extract (APE) the ethyl acetate fraction (APF) analyzed via LC‒MS for phytochemical profiling. In studies assessed carrageenan‐induced paw edema complete Freund's adjuvant (CFA)‐induced arthritis models Wistar rats. Ferulic acid, isoferulic acetyl aleuritolic acid identified as bioactives that targeted RELA, a key NF‐κB component. Stable interactions confirmed docking MD simulations. verified these compounds APE APF. revealed significant reductions volume, scores, inflammatory markers (CRP, RF, IL‐6, TNF‐α) improved histopathological outcomes APF‐treated groups compared CFA. These findings highlight of multi‐protein modulation, particularly signaling, it can be utilized promising therapeutic rheumatoid arthritis.

Language: Английский

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