Abstract

The liver is the body's biggest organ and is involved in metabolic processes. The liver is involved in both metabolism and dehydration. It helps in the detoxification of harmful chemicals as well as the growth of microorganisms. For systemic removal and preservation of organisms and other creatures, the liver is the most essential organ. As a result, liver injury has significant ramifications. Liver disease is regarded as a serious health issue. Overuse of several medicines, which are occasionally prescribed as part of treatment, can cause organ damage. Hepatotoxicity is caused by other chemical agents, such as those employed in labs (thioacetamide, alcohol, etc.) and industry, as well as natural compounds (such as microcystin). Many over-the-counter medicines aren't prescribed to help people with liver disease, and they can actually harm the liver. As a result, plant-based treatments are utilised to treat liver illness. As a result, several human herbal treatments have been evaluated in experimental animal models for antioxidant and hepatoprotective liver function. Acanthus ilicifolius was used as Traditional Chinese medicine (TCM) and Traditional Indian medicine (TIM). The plants showed many clinical properties. Still, the neurological related functions and disorders are not well explored in this plant. Complex interplay of positive and negative emotions orchestrated by intricately associated neuronal circuits, neurotransmitters coupled with endocrinal in- fluence holds responsible for human behavior, considered as the root of human civilization, is currently facing existential crisis during COVID-19 pandemic. In the present study, an attempt was made to identify the interaction between A. ilicifolius natural compounds and Echinacoside as reference compounds were to study the neurotransmitters functions through biomathematical and computational method. Initially, in silico molecular docking was performed to identify the potent natural compounds against neurological disease. The results show among 8 natural compounds, 26.27-Di(nor)- cholest-5,7,23-trien-22-ol, 3-methoxymethoxy, Cholest-5-en-3-ol (3, Beta.)-, carbonochloridate, Cholesterol and Echinacoside exhibited maximum interaction with all the target proteins. Especially, Echinacoside exhibited the maximum interaction with (Serotonin) 5- hydroxytryptamine receptor 2A (-17.077), Sodium-dependent serotonin transporter (-15.810) and (Histamine) Histamine H2 receptor (-17.556). These two neurotransmitters act as a major concern related to the mental disorders and neurological functions. The natural compounds may potent inhibitor for neurological disorders.

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