Exploring Nanoherbal Paraboea leuserensis as a Therapeutic Agent in Traumatic Brain Injury: In Silico, and In Vivo Approaches

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Ilyas Syafruddin; Situmorang Putri Cahaya; Ahmad Hafandi; Khairani Dina; Wati Dini Prastyo; Polem Wardah Sawitri

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Journal Paper

Paper Information

Journal: IRANIAN JOURNAL OF MEDICAL SCIENCES Year:2025 | Volume:50 | Issue:12 Page(s): 819-831

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Title

Exploring Nanoherbal Paraboea leuserensis as a Therapeutic Agent in Traumatic Brain Injury: In Silico, and In Vivo Approaches

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Keywords

Traumatic brain injury

Phytotherapy

Molecular docking simulation

Oxidative stress

superoxide dismutase

Abstract

Background: Traumatic brain injury (TBI) is a major global health burden and one of the leading causes of death and disability worldwide, affecting up to 74 million people annually. It profoundly impairs mental health, quality of life, and daily functioning. This study aimed to explore the therapeutic potential of nanoherbal compounds from Paraboea leuserensis using combined in silico and in vivo approaches in a rat model of TBI.Methods: In the in silico phase, bioactive compounds from Paraboea leuserensis leaves identified by Gas Chromatography–Mass Spectrometry (GC-MS) were screened through molecular docking to assess their binding affinity and pharmacokinetic properties. For the in vivo study, 30 male Wistar rats were allocated into six groups: G0 (normal control), G+(TBI control), MP (TBI+methylprednisolone 30 mg/Kg BW), and treatment groups PL100, PL200, and PL300 (TBI+nanoherbal extract at 100, 200, and 300 mg/Kg BW, respectively). Antioxidant activity was evaluated through superoxide dismutase (SOD) and malondialdehyde (MDA) assays. Data were analyzed by one-way ANOVA with Tukey’s post hoc test (P<0.05) using GraphPad Prism.Results: GC-MS analysis revealed bioactive compounds with favorable pharmacokinetic properties. Molecular docking showed strong interactions of 9-octadecen-12-ynoic acid methyl ester with ERK2 and CCR2, while 9-octadecenoic acid (Z) displayed notable binding to JNK3. In vivo, PL100 (P<0.01), PL200 (P<0.001), and PL300 (P<0.0001) significantly enhanced SOD activity and reduced MDA levels compared to the TBI control.Conclusion: Both in silico and in vivo findings highlight the neuroprotective potential of Paraboea leuserensis, with PL300 showing the most pronounced antioxidant effect in TBI-induced rats.

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