Docking and ADMET Study of Ar-Turmerone: Emerging Scaffold for Acetylcholine Esterase Inhibition and Antidiabetic Target

In the present scenario of eco-preservation and eco-safe utilization, researchers globally have been attracted to the utilization of raw and sustainable products having significant therapeutic potential that allow safety, modality, and biological activeness with environmental compatibility. ar-turmerone has various pharmacological actions, including antidepressant, antiepileptic, anti-dermatophyte, antivenom, anticancer, antiplatelet activity, etc. in the present work, we investigated ar-turmerone (ar-tume), one of the chief phytoconstituents present in curcuma longa for human anticholinesterase (ache) inhibitor (4pqe) and human salivary alpha-amylase dimer (1xv8) hydrolase inhibitor as a natural product-based emerging scaffold. our study reveals that the selected compound ar-tume showed remarked biological, admet profiling, and superior docking scores/negative binding energies (-7.9 against 4pqe and -6.7 against 1xv8) concerning the reference drugs, which attributed to the strong hydrogen-bonding interactions both towards both anti-alzheimers and antidiabetic capabilities.