Abstract

ANALOGS OF SELEGILINE: IN SILICO DESIGN AND DEVELOPMENT OF NOVEL MAO-B INHIBITORS IN THE TREATMENT OF PARKINSON’S DISEASE

*Chirag Prajapati, Akshay Shekhada

Abstract

Parkinson’s disease (PD) is the second most common neurodegenerative disorder. Pharmacotherapy with Selegiline provides symptomatic relief in patients suffering from PD. However, several studies have been conducted in an attempt to improve the therapeutic efficiency of Selegiline by using drugs that preferentially inhibit MAO-B. In this study, we have used computational methods to design novel Selegiline analogues and evaluated them for interaction with the enzyme (MAO-B) through in silico analysis. Here, we report that Selegiline analogue-9 (N'-(1-methyl-2-phenyl-ethyl)-N'-prop-2-ynylmethanediamine) has shown higher affinity and better interaction with MAO-B than Selegiline. MAO-B protein interactions with Selegiline analogues were confirmed by binding energy given by ArgusLab docking software.

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