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Computational Evaluation of Azadirachta indica-Derived Bioactive Compounds as Potential Inhibitors of NLRP3 in the Treatment of Alzheimer's Disease.

Felix Oluwasegun Ishabiyi,James Ogidi,Baliqis Adejoke Olukade,Chizoba Christabel Amorha,Lina Y El-Sharkawy,Chukwuemeka Calistus Okolo, Titilope Mary Adeniyi,Nkechi Hope Atasie,Abdulwasiu Ibrahim,Toheeb Adewale Balogun

Journal of Alzheimer's disease : JAD（2023）

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Abstract
In silico studies show that A. indica derived compounds have better inhibitory potential against NLRP3 and better pharmacokinetic profiles when compared with the reference ligand (oridonin). These compounds are thus proposed as novel NLRP3 inhibitors for the treatment of AD. Further wetlab studies are needed to confirm the potency of the studied compounds.
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Key words
Alzheimer’s disease,Azadiracta indica,NLRP3,density functional theory,inflammasomes,molecular docking
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