Hybrid caffeic acid derivatives as monoamine oxidases inhibitors: synthesis, radical scavenging activity, molecular docking studies and in silico ADMET analysis.

ABSTRACT:

Background

Monoamine oxidase has been implicated in numerous neurological disorders. Although synthetic monoamine oxidase inhibitors (MAOI) have emerged with many side effects, the aspiration of natural based MAOI has greatly increased. As they exhibit fewer side effects and food interaction along with improved neuropharmacological profile.

Results

The in silico design of the caffeic acid derivatives led potent MAO inhibitors with remarkable antioxidant activity. The mechanistic insight of the compounds within the hMAO active site was achieved by molecular docking which led us to be more confident of the possible inhibition of MAO.

Conclusions

The synthesized eugenol based ester of caffeic acid compound 7 exhibited MAO-A inhibition with IC₅₀ values of 07.03

SUBMITTER: Dhiman P 

PROVIDER: S-EPMC6768041 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature