RETRACTED: Exploring Chalcone Derivatives as a Multifunctional Therapeutic Agent: Investigating Antioxidant Potential, Acetylcholinesterase Inhibition and Computational Insights

Year: 2025

Type: article

Abstract: Background: The cholinergic hypothesis is an elementary approach employed for the research and drug discovery of novel anti-Alzheimer therapeutics. Method: In this context, the study focuses on synthesizing and evaluating a new series of chalcone derivatives (3a–3j) as multifunctional therapeutic agents, specifically investigating their antioxidant potential using the DPPH method with ascorbic acid as a standard. Ellman’s protocol for acetylcholinesterase inhibition assay was performed using donepezil as a standard, and computational insights were explored through molecular docking and ADME profiling. Results: Compounds 3a, 3d, 3e, 3f, and 3h exhibited excellent antioxidant activity compared to the standard. Most of the compounds exhibited moderate to good (3b, 3c, and 3h) AChE inhibitory activity. Molecular docking studies revealed conventional hydrogen bonding and π-π interactions with the enzyme’s active residues, facilitated by their electronegative groups and phenyl rings, respectively. In addition, a pharmacokinetic study was conducted using computational approach to assess druggability. The results demonstrated that compound 3b is an outstanding lead candidate with appreciable AChE inhibitory activity. Conclusions: The combined experimental and computational results of this study highlight the multifunctional nature of chalcone derivatives, suggesting their potential as promising therapeutic agents for the discovery of novel AChE inhibitors that could be employed in the management of Alzheimer’s disease and oxidative stress-related diseases.

Source: Drugs and Drug Candidates

DOI: 10.3390/ddc4020016

Authors: Sujatha Lokanath, Manjunatha Katagi, Girish Bolakatti, Johnson Samuel, Belakatte Nandeshwarappa

Institutions: Davangere University, Indian Institute of Technology Delhi

Language: English

Topic: Cholinesterase and Neurodegenerative Diseases

Subfield: Pharmacology (medical)

Field: Medicine

Domain: Health Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,207