DECIPHERING THE MOLECULAR BASIS OF NOOTROPIC EFFICACY OF FLAVONOID FROM SEDUM LINEARE THUNB: COMPUTATIONAL APPROACH

Abstract

Background:Supplements or well-known chemicals that improve cognitive function are called nootropics or smart medicines. They function by enhancing mental faculties like motivation, creativity, memory, and focus. The goal of recent studies has been to identify a novel nootropic that can be made from both natural and synthetic materials. Numerous studies have been conducted on the effects of nootropics on the brain. Sedum linear Thunb

,plant is known as "Sedi linearis Herba" when used medicinally. Many disorders, such as hepatitis, dysentery, dermatitis rhus, burns, scalds, traumatic bleeding, and a plethora of other conditions, were treated with it on a regular basis.One flavonoid that has demonstrated pharmacological effects and has promise for therapeutic use is quercetin. It is extensively dispersed throughout plants and frequently encountered in diets, mostly in fruits and vegetables. Numerous in vitro investigations have documented quercetin's neuroprotective effects. It has been demonstrated to lower lipid peroxidation and shield neurons from oxidative injury. Apart from its antioxidant characteristics, it also prevents amyloid-β protein fibrils from forming, hence reversing inflammatory cascade pathways and cell lyses.

Aim and Objective:The current study's objective was to assess the Nootropic efficacy of quercetin through in- silico molecular docking.

Method: Studies using in-silico molecular modelling were conducted to evaluate the nootropic potential of quercetin by designing it to target both the Gluk1 and GluR2 receptors. The Auto Dock software was utilized to determine the binding through a grid-based docking technique.

Result:The results of the lead molecule's molecular modelling with Gluk1 and GluR2 receptors demonstrated that the chosen compounds had a high affinity for the chosen target protein. It was discovered that the binding energies of quercetin to the Gluk1 and GluR2 receptors were -5.86 and -7.02 Kcalmol^-1, respectively.

Key words: Nootropic efficacy, Quercetin, Gluk1 and GluR2receptors.