Multi-Target Neuroprotection by Syzygium aromaticum Ethyl Acetate Fraction Against Mercuric Chloride-Induced Hippocampal Toxicity: Insights from Network Pharmacology, Molecular Docking, and In Vivo Evaluation

Mercury remains a pervasive environmental neurotoxicant strongly implicated in hippocampal oxidative injury and dementia-related cognitive decline, yet safe multi-target agents against its neurotoxicity remain limited. This study investigated the neuroprotective potential of the Syzygium aromaticum (clove) ethyl acetate fraction (SEAF) against mercuric chloride (HgCl 2 )-induced hippocampal neurotoxicity using an integrated network pharmacology, molecular docking, and in vivo evaluations. GC-MS profiling of SEAF (5.29% yield) identified 13 abundant metabolites, dominated by eugenyl acetate, eugenol, 14-hydroxycaryophyllene, and β-caryophyllene. Consensus screening with SwissADME and ADMETlab 3.0 identified eugenyl acetate, benzyl benzoate, and 1-methylcyclododecanol as blood-brain barrier (BBB)-permeant. Network pharmacology integrating SwissTargetPrediction, TargetNet, GeneCards, and the Therapeutic Target Database revealed 16 overlapping dementia-associated targets, with NFKB1 emerging alongside other genes as the principal hub governing nuclear receptor signalling, oxidative stress, and neuroinflammation pathways. Molecular docking against NMDA, GABA_A, NF-κB1, and acetylcholinesterase receptors showed eugenyl acetate and benzyl benzoate consistently exhibited the strongest and most consistent binding affinities among the BBB-permeant metabolites. In vivo , pretreatment with SEAF (250–1000 mg/kg) dose-dependently attenuated HgCl₂-induced deficits in object location and Y-maze performance, restored hippocampal superoxide dismutase and catalase activities, reduced malondialdehyde levels, and preserved CA1/CA3 pyramidal cell architecture, with the 1000 mg/kg dose approximating Vitamin E and control groups. These convergent computational and experimental findings identify SEAF as a multi-target neuroprotective agent that mitigates mercury-induced hippocampal neurodegeneration through coordinated antioxidant, anti-inflammatory, and neurotransmission-modulating mechanisms, supporting its further development as a candidate nutraceutical neuroprotectant against heavy-metal-associated dementia risk.

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F1000Research
Published
2026-10-05
DOI
https://doi.org/10.12688/f1000research.186494.1
Primary Topic
Medicinal Plants and Neuroprotection
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article
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article

Multi-Target Neuroprotection by Syzygium aromaticum Ethyl Acetate Fraction Against Mercuric Chloride-Induced Hippocampal Toxicity: Insights from Network Pharmacology, Molecular Docking, and In Vivo Evaluation

Vivian Onyinye Ojiakor, Godson Emeka Anyanwu, Ekom Monday Etukudo, Augustine Oviosun et al.
F1000Research
Medicinal Plants and Neuroprotection
article

Multi-Target Neuroprotection by Syzygium aromaticum Ethyl Acetate Fraction Against Mercuric Chloride-Induced Hippocampal Toxicity: Insights from Network Pharmacology, Molecular Docking, and In Vivo Evaluation

Vivian Onyinye Ojiakor, Godson Emeka Anyanwu, Ekom Monday Etukudo, Augustine Oviosun, Ibe Michael Usman, Elna Owembabazi, Partick Aja Maduabuchi
article en

Abstract

Mercury remains a pervasive environmental neurotoxicant strongly implicated in hippocampal oxidative injury and dementia-related cognitive decline, yet safe multi-target agents against its neurotoxicity remain limited. This study investigated the neuroprotective potential of the Syzygium aromaticum (clove) ethyl acetate fraction (SEAF) against mercuric chloride (HgCl 2 )-induced hippocampal neurotoxicity using an integrated network pharmacology, molecular docking, and in vivo evaluations. GC-MS profiling of SEAF (5.29% yield) identified 13 abundant metabolites, dominated by eugenyl acetate, eugenol, 14-hydroxycaryophyllene, and β-caryophyllene. Consensus screening with SwissADME and ADMETlab 3.0 identified eugenyl acetate, benzyl benzoate, and 1-methylcyclododecanol as blood-brain barrier (BBB)-permeant. Network pharmacology integrating SwissTargetPrediction, TargetNet, GeneCards, and the Therapeutic Target Database revealed 16 overlapping dementia-associated targets, with NFKB1 emerging alongside other genes as the principal hub governing nuclear receptor signalling, oxidative stress, and neuroinflammation pathways. Molecular docking against NMDA, GABA_A, NF-κB1, and acetylcholinesterase receptors showed eugenyl acetate and benzyl benzoate consistently exhibited the strongest and most consistent binding affinities among the BBB-permeant metabolites. In vivo , pretreatment with SEAF (250–1000 mg/kg) dose-dependently attenuated HgCl₂-induced deficits in object location and Y-maze performance, restored hippocampal superoxide dismutase and catalase activities, reduced malondialdehyde levels, and preserved CA1/CA3 pyramidal cell architecture, with the 1000 mg/kg dose approximating Vitamin E and control groups. These convergent computational and experimental findings identify SEAF as a multi-target neuroprotective agent that mitigates mercury-induced hippocampal neurodegeneration through coordinated antioxidant, anti-inflammatory, and neurotransmission-modulating mechanisms, supporting its further development as a candidate nutraceutical neuroprotectant against heavy-metal-associated dementia risk.

F1000ResearchVol. 15
Enugu State University of Science and Technology (NG), Kampala International University (UG), University of Rwanda (RW)
Openalex Percentile: Top 6%
Medicinal Plants and Neuroprotection
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