EXPLORING THE NEUROPROTECTIVE POTENTIAL OF PHYTOCONSTITUENTS FROM ABUTILON INDICUM: AN INSILCO ANALYSIS
Authors: Pasumarthy Sree Mahalakshmi, Thamalapakula VinodKumar, Subbireddy gari Chandra Prakash Reddy, Guduru Sushma
Keywords: Neurodegeneration, Blood Brain Barrier, Pharmacokinetics, PYRX, Binding affinity
Abstract:
Background: Neurodegenerative diseases are one of the most challenging disorders in which there is no complete curative rate. The molecular mechanisms behind the disease are very complex for Parkinson’s and Alzheimer’s disease such as neuronal loss, decrease in the synthesis of neurotransmitters, protein aggregation etc. Molecular docking is the Insilco technique used to identify the interactions between small molecules (phytoconstituents) and targets (disease).
Aim: This study aims to explore the neuroprotective potential of Abutilon indicum to treat neurodegenerative diseases. The plant has a wide range of therapeutic activities such as anti-diabetic, anti-microbial, Hepatoprotective, anti-helminthic, anti-oxidant, anti-inflammatory. Abutilon indicum is rich in bioactive compounds is under explored for Neuroprotection.
Methodology: Molecular docking using PYRX software was utilized to determine the binding affinity of the Phytoconstituents from the plant with the targets from diseases. Swiss ADME, an Insilco tool was used for the prediction of Pharmacokinetics of the compounds.
Results: Flavonoids and phytosterols, including Chryseriol-7-O-β-D-glucopyranoside, Luteolin 7-O-glucoside, and Stigmasterol, have high affinity for neurological targets, comparable to conventional medicines donepezil and pramipexole.
Conclusion: Compounds such as Scopoletin and Scoparone have positive pharmacokinetic features, implying efficient absorption, distribution, and elimination. Future research should concentrate on structural optimization of robust phytochemicals to improve solubility and CNS bioavailability.
