Targeting Central Nervous System (CNS) diseases with bioactive compounds using network pharmacology and screening tools

Simple item page
dc.contributor.authorMEKHANE, Selma
dc.date.accessioned2026-01-28T09:37:05Z
dc.date.available2026-01-28T09:37:05Z
dc.date.issued2025
dc.descriptionTHESIS PRESENTED FOR A MASTER DEGREE FIELD: Process Engineering SPECIALTY: Pharmaceutical Process Engineeringen_US
dc.description.abstractToday we hear and see the increase in Parkinson disease, which have become among the most common diseases in the world. Therefore, we targeted some proteins that are related to the disease. Our goal in this study is to inhibit all of the A2AA-R, GABA-A, NrF2, and αsynuclein. After examining various plants from Chlef in Algeria, we selected salvia officinalis and curcuma longa. After that, we made the extraction of curcuma longa with ethanol, and we had obtained good yield. Our In Silico study demonstrated that there is an inhibitory combination of the bisdemethoxycurcumin compound with A2AA-R,with a binding capacity estimated at ∆G = -9.1 kcal/mol, and the ar-turmerone compound with the A2AA-R with a binding capacity estimated at ∆G = -8.6 kcal/mol. α -turmerone had make a cohesion with NrF2 with energy estimated at ∆G=-7.4kcal/mol. Consequently, makes the bisdemethoxycurcumin-A2AA-R interaction (ΔG = -9.1 kcal/mol) demonstrates the strongest binding affinity among the tested compounds. Our QSAR study approach was based on using two methods, multiple linear regression (MLR), support vector regression (SVR). SVR demonstrated superior predictive accuracy (Q² = 0.992, R² train = 0.989) compared to MLR (Q² = 0.559, R² train = 0.766). After the comparison between bisdemethoxycurcumin and l-dopa , our findings suggest bisdemethoxycurcumin (BDMC) offers dual benefits comparable binding affinity to key targets (∆G = -9.1 kcal/mol) while additionally addressing PD's core pathologies through antioxidant and anti-inflammatory mechanisms. This multifunctional activity positions BDMC as a potential disease-modifying adjunct to conventional therapy.en_US
dc.identifier.urihttp://dspace.univ-chlef.dz/handle/123456789/2286
dc.publisherOTMANINE Khaleden_US
dc.subjectcurcuma longaen_US
dc.subjectsalvia officinalisen_US
dc.subjectA2AA-Ren_US
dc.titleTargeting Central Nervous System (CNS) diseases with bioactive compounds using network pharmacology and screening toolsen_US
dc.typeThesisen_US

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Targeting central Nervous System (CNS) diseases with bioactive compounds using Network pharmacology and screening tools.pdf
Size:
7.45 MB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Master II en Génie des Procédés