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- 저자 : Jha Sajal Kumar (검색결과 1 건)
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Network pharmacology of Withania somnifera against stress associated neurodegenerative diseases
Duyu Taaza,Khanal Pukar,Dey Yadu Nandan,Jha Sajal Kumar 경희대학교 융합한의과학연구소 2021 Oriental Pharmacy and Experimental Medicine Vol.21 No.3
Withania somnifera is a Rasayana of the Ayurvedic system of medicine that is widely used to treat stress-related neurological disorders. Although its anti-stress activity is reported in experimentally-induced stress models, the probable mechanism for neuroprotection has not been elucidated yet. Hence, the present study aimed to evaluate the effect of Withania somnifera against two neurodegenerative diseases (Parkinson’s and Alzheimer’s diseases) using a network pharmacology followed by molecular docking. The bioactives were retrieved from ChEBI and PCIDB databases; targets were predicted using BindingDB and were enriched via STRING. The combination synergy analysis of the constructed network was performed using Cytoscape. Similarly, molecular docking was performed using autodock4.0. Out of 45 phytoconstituents, 23 were predicted to modulate the proteins involved in the pathogenesis of Parkinson’s disease and Alzheimer’s disease. The combination synergy identified 10 and 6 targets interacting with 22 and 18 compounds in Parkinson’s disease and Alzheimer’s disease respectively. Pathways involved in Parkinson’s disease was cholinergic synapse; further cholinergic synapse and neuroactive ligand-receptor interaction were primarily involved in Alzheimer’s disease. Further, phytoconstituents-target-pathway interaction revealed that the highly modulated protein(s) involved in Parkinson’s disease was PRKCD whereas COX-1 and 2 in Alzheimer’s disease along with some common proteins in both. Network pharmacology analysis elucidated the probable molecular mechanisms of Withania somnifera in the management of stress-associated neurodegenerative diseases, identified the lead molecules, their targets, and possible pathways. However, the current findings are based on processor simulations and further experimental validation of the constructed network is still required to confirm the present findings.
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