Integrated In Silico and In Vivo Evaluation of the Antiepileptic Potential of Chenopodium album L. in a Pentylenetetrazole-Induced Seizure Model
Abstract
Abstract Background Epilepsy is a multifactorial disorder of the central nervous system characterized by recurrent, unprovoked seizures resulting from abnormal neuronal activity. Despite available antiepileptic drugs, treatment is limited by drug resistance and adverse effects, highlighting the need for safer agents. This study investigated the anticonvulsant potential of Chenopodium album L. using an integrated computational and experimental approach. Methods Methanolic leaf extract of Chenopodium album was analysed by LC–MS to identify phytoconstituents. Network pharmacology, Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, molecular docking, molecular dynamics simulation, MM-GBSA, principal component analysis (PCA), free energy landscape (FEL), and ADMET prediction were performed. Anticonvulsant activity was validated in the pentylenetetrazole (PTZ)-induced seizure model in mice. Results LC–MS identified 27 phytoconstituents. Network pharmacology revealed 541 overlapping targets between C. album phytoconstituents and epilepsy-related genes, with STAT3 as the key hub protein. Enrichment analysis highlighted EGFR tyrosine kinase inhibitor resistance, JAK–STAT, HIF-1, and estrogen signalling pathways. Quercetin showed the highest affinity for STAT3, while molecular dynamics, MM-GBSA, PCA, and FEL analyses confirmed a stable quercetin–STAT3 complex. ADMET prediction indicated favorable pharmacokinetic properties. The in vivo…
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Evidence Hub reads this as a preprint, done in animal and computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.
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