Inhibitory effects of phytochemicals of spices on human monoamine oxidase B through molecular docking, molecular dynamics simulation, and DFT study

Lal Swagat Shrestha, Ram; Neupane, Prabhat; Dhital, Sujan; Parajuli, Nirmal; Maharjan, Binita; Shrestha, Timila; Bharati, Samjhana; P. Marasini, Bishnu; Adhikari Subin, Jhashanath

doi:10.1007/s44371-025-00117-y

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Inhibitory effects of phytochemicals of spices on human monoamine oxidase B through molecular docking, molecular dynamics simulation, and DFT study

Shared by NobleBlocks on Mar 18, 2025 • 12:00 AM UTC

Authors:

Ram Lal Swagat Shrestha

Prabhat Neupane

Sujan Dhital

Abstract

Spices are an integral part of cuisines, with their phytochemicals possessing therapeutic potential for managing various health conditions. Rapidly increasing neurodegenerative disease, Parkinson’s, could be treated through inhibition of monoamine oxidase B (MAO-B) enzyme. This study aims to identif...

Subject

Docking (animal)

Molecular dynamics

Monoamine oxidase

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