Bacopa monnieri: A promising herbal approach for neurodegenerative disease treatment supported by in silico and in vitro research

• DOI: 10.1016/j.heliyon.2023.e21161
• Publication Date: 2023-10-20T09:00:04Z
• Authors: Shehla Shoukat; Muhammad Amir Zia; Muhammad Uzair; Kotb A. Attia; Asmaa M. Abushady; Sajid Fiaz; Shaukat Ali; Seung Hwan Yang; Ghulam Muhammad Ali
• Keywords: Bacopa monnieri; Wogonin

Neurodegenerative disorders, caused by progressive neuron loss, are a global health issue. Among the various factors implicated in their pathogenesis, dysregulation of acetylcholinesterase activity has been recognized as key contributor. Acetylcholinesterase breaks down neurotransmitter acetylcholine, important for neural transmission. Evaluating phyto-compounds from Bacopa monnieri Linn. through vitro and silico analysis may expand role alternative therapeutic agents modulating function complementing existing treatments. To accomplish this objective, chemical structures were retrieved PubChem database subjected to approaches. Virtual screening was performed molecular docking dynamic simulation resulting four top hit compounds including quercetin, apigenin, wogonin, bacopaside X (novel lead compound inhibitor) with least binding score. Further, dose dependent inhibition biochemical assay depicted that X, wogonin exhibited strong potential against IC50 values 12.78 μM, 13.83 12.73 μM 15.48 respectively, comparison donepezil (IC50: 0.0204 μM). The research suggests B. have modulate targets associated neurodegenerative diseases neuroprotection.