Molecular Docking Study on Vani Vallarai nei against the GABA B Receptor for Cerebral Palsy

Abstract

Background
Cerebral palsy affects movement and posture and is caused by brain damage before, during or after birth. Spastic cerebral palsy is the most common form of cerebral palsy accounting for 70% to 80% of all children diagnosed. Spastic cerebral palsy causes increased muscle tone, stiff muscles and difficulty walking. As per Siddha literature formulation of Vani Vallarai nei effectiveness of Brain disorders therefore this Insilco analysis was carried out to find its effectiveness in Spasticity.
Objective
The current study aims to explore the possible inhibition of Bio active components of Vani Vallarai nei against GABA B Receptor through molecular docking study.
Methodology
Docking stimulations were performed using the Lamarckian genetic algorithm (LGA) and the Solis & Wets local search method (Solis and Wets, 1981).
Results
Total of 9 bioactive lead compounds were retrieved from the herbs present in the formulation. From reported data of the herbs, all the phytochemicals such as Asiaticoside, Humulene, Quercetin, Oleic acid, Magnolin, Linoleic acid and Picein reveals maximum of 2 interactions with the core active amino acid residues present on the target GABA-B receptor.
Conclusion
Based on the results the Siddha formulation Vani Vallarai nei possess significant binding against the target GABA-B receptor by interacting with active amino acid present on the active site thereby it was concluded that these compounds may exerts promising muscle relaxant activity there by it prevents the muscle spasm.