Abstract

ANTISEIZURE LEAD IDENTIFICATION FROM MALVASTRUM COROMANDELIANUM USING SOXHLET EXTRACTION, HR-LCMS AND IN SILICO APPROACHES

Porselvi R.*, Dr. K. B. Ilango, Beenamol I., Dhivakar S., Nithish Kumar R., Pravisha S., Sanchitha K.

Abstract

Malvastrum coromandelianum, a promising traditional herbal medicine from Malvaceae family has long been recognized for its medicinal attributes. Though it is traditionally used for many diseases including neurological disorders, yet its Anticonvulsant property was not explained. This research used a special technique called HR-LCMS provides a powerful platform for precise, unambiguous structural elucidation and quantitative profiling of the complex mixture of phytoconstituents present in the plant’s stem extract and In- Silico Docking to predict their binding affinity towards the neurological target. The substances identified by HR-LCMS were tested against important targets like GABA-A receptors. D2 receptors and NMDA (N-methyl-D-aspartate) receptors through molecular docking. Many flavonoids and phenolic compounds obtained from the stem extract showed strong binding affinities and favourable ADMET properties, suggesting they might help manage seizures. Hence, this synergistic methodologies accelerated the process of identification of compounds and their therapeutic potential for the treatment of seizures, making the search for new medicines from the natural sources more efficient.

Keywords: Soxhlet extraction, HR-LCMS, anticonvulsant, epilepsy, molecular docking, Malvastrum coromandelianum.