Molecular dynamic properties and Insilico screening of neuroprotective activity of Clitoria ternatea against Glutamate receptors

Abstract

Multiple sclerosis is a popular autoimmune disease attack mainly the Central nervous system. It attacks the age group of people from 20-50, mostly women are attacked than men. During multiple sclerosis, demyelination takes place along with axon damage and paralytic effect. Various symptoms of multiple sclerosis include muscle weakness, weak reflexes, muscle spasm, movement difficulty. Moreover, treatment of multiple sclerosis vai drugs includes various side effects. Medicinal plants possess many phytochemicals of greater therapeutic value and many of the possess effective to treat multiple sclerosis, Chemical constituents exhibit its effect over multiple sclerosis by inhibiting many proteins involved in demyelination. Molecular docking is a computational design approach which facilitates the best molecule from a group which may bind with the highest affinity with the intended target by providing a biological system. This process enables on the basis of the specific algorithm and involves a scoring function in order to rank molecules that fit the target. The study has been made to investigate the potential of phytochemicals from clitoria ternatea -inositol and quercetin as inhibitors of glutamate receptors. Drug likeness property determined based on molinspiration.com. The affinities of those selected chemical constituents over various glutamate receptor were studied for scoring function. Receptors with PDB code 1EQ8,4E0W,3KR2 were chosen to dock against the chemical constituent Inositol richest chemical constituent in Clitoria ternatea and scoring function was found to be -3.45,-4.56, -5.67kcal/mol.