In Vitro And In Silico Cholinesterase Inhibitory And Antioxidant Properties of Paederia foetida L.: Potential Implications Against Neurodegenerative Disorders

Abstract

Objectives: Cholinesterase inhibitors, especially from plant origin, is proved to be the therapeutic choice against neurological diseases. Paederia foetida L., a traditional medicinal herb, has been investigated for a number of pharmacological properties. But, its efficacy against neurological conditions has not yet been studied. Therefore, in the present study, anticholinesterase and antioxidant properties of crude methanolic extract of P. foetida (MEPF) were investigated both in vitro and in silico.

Methods: MEPF was investigated for acetylcholinesterase- (AChE) and butyrylcholinesterase (BChE) inhibitory properties. Antioxidant activity of MEPF was investigated by 2,2-diphenyl-1-picryl-hydrazyl (DPPH) method. Major bioactive compounds of MEPF were identified using FTIR and GC-MS, and the identified phytochemicals were analysed for molecular docking, drug-likeness properties, and toxicity prediction.

Results: Promising antioxidant, AChE and BChE inhibitory activities were observed with IC₅₀ values of 99.26±0.85 μg/mL, 103.55±1.27 μg/mL and 180.45±3.18 μg/mL, respectively. GC-MS analysis revealed nine compounds among which phytol and neophytadiene exhibited strong binding affinities with NAD(P)H oxidase, AChE and BChE, with good pharmacokinetic score and no toxicity.

Conclusions: P. foetida may act as an excellent free radical scavenger with potent anticholinesterase properties and may be helpful in preventing the progression of neurodegenerative disorders associated with oxidative stress.