Computational investigation of natural products against P2XR, P2X7 and cullin neddylation NEDD8 processing as potential multi-target Inhibitors.
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Date
2025
Authors
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Publisher
OTMANINE Khaled
Abstract
Alzheimer's disease and Esophageal cancer are among the most common diseases in the world.
Treating these two diseases by targeting two specific proteins using molecules from different
plants will be a promising potential process. The object of this study is to inhibit the P2X7
receptor and NEDD8 protein which are responsible for these two diseases respectively. After
screening of more than 20 plants original from chlef State, Algeria. We selected the Salvia
officinalis, Trigonella foenum-graecum and Phoenix dactylifera L seeds. The ethanolic extracts
of Sage have the best inhibitory activity against Staphylococcu saurous ATCC6538 (Gram
positive) with D=19mm. All the plants have antioxidant activity: IC50(sage)=0.191mg/ml ,
IC50(Fenugreek)=0.143mg/ml, IC50(dateseed)=0.193mg/ml .GC-MS analysis indicated several
components in extracts. The study conducted a pharmacoinformatics analysis ―in silico‖ of 6
compounds from 75 bioactive compounds. In silico studies reveal that the inhibitor ligand Tricin
interacts with NAE1, forming 9 amino acid bonds with ∆G = -7.8 kcal/mol and 7,4‘-
Dihydroxyflavone interacts with P2X7 forming 7 amino acid bonds with ∆G = -6.8 kcal/mol .
We finished our work with a new formulation which is Emulsuspension.
Description
Thesis
Presented for graduation from
MASTER 2
Field: Process Engineering
Option: Pharmaceutical Process Engineering
Keywords
Alzheimer's disease, Esophageal cancer, P2X7, NEDD8