Comparative pharmacological profile of selected natural compounds evaluated in this study.

<p>Comparative pharmacological profile of selected natural compounds evaluated in this study.</p>

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التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Zhizhong Wang (838758) (author)
مؤلفون آخرون:	Sen Xu (111047) (author), Ailong Lin (20917898) (author), Chunxian Wei (22351609) (author), Zhiyong Li (47765) (author), Yingchun Chen (502343) (author), Bizhou Bie (20917901) (author), Ling Liu (143030) (author)
منشور في:	2025
الموضوعات:	Biophysics Biochemistry Genetics Molecular Biology Pharmacology Biotechnology Immunology Infectious Diseases Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified stage drug discovery six target proteins pathway enrichment using normal mode analysis leukocyte transendothelial migration key proteins implicated enrichment analyses provides comprehensive computational framework central node within brain barrier integrity docking analysis revealed tnf signaling pathways neurodegenerative disease driven targeting vascular dementia using molecular docking protein interaction network mthfr (&# 8722 mmp9 (&# 8722 highest binding affinity aplp1 (&# 8722 targeted therapeutic strategies mol ), resveratrol molecular docking binding affinity therapeutic relevance driven interventions associated pathways vascular pathology vascular dysfunction vad ), mol ), vad pathogenesis study highlights study employs structural influence silico approach requires multi regulatory importance protein cores oxidative stress neuroprotective potential natural ligands multiple vad mol ). loop regions linking inflammation induced stabilization findings warrant experimental validation enhanced flexibility
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مواد مشابهة

Summarizes the comparison between the docking scores of protein targets with natural ligands, positive controls and negative controls.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Summarizes the overall number of interactions and their bonding energies.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Comparison of predicted ADMET properties of natural compounds and approved CNS drugs.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Tanimoto similarity matrix displaying pairwise structural similarity among chosen natural ligands based on Morgan fingerprints.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Network metrics for Protein-Protein Interaction (PPI). The table shows important network measures for certain proteins associated with vascular dementia. Degree shows how many links each protein has, Betweenness Centrality shows how it acts as a network hub, Clustering Coefficient shows how connected its neighbours are, and Edge Confidence Score shows how reliable the interaction is based on estimates from the STRING database.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

The roles of different proteins in vascular dementia.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Shows a molecular dynamics simulation of six protein-ligand complexes spanning 100 ns.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Normal Mode Analysis of Superoxide dismutase.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Methylenetetrahydrofolate Reductase (MTHFR) complexed with Resveratrol shows structural dynamics under Normal Mode Analysis (NMA).
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Normal Mode Analysis Matrix metalloproteinase-9.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

NMA data for Claudi-5 complexed with Licocumarone showing structural dynamics.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Normal Mode Analysis for Apolipoprotein E the structural dynamics of the curcumin-complexed Apolipoprotein E (ApoE) are displayed.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

The Normal Mode Analysis (NMA) results for amyloid beta precursor-like protein 1 (APLP1) complexed with Galangin show that the structure is flexible and changes over time.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Indicated bonding interaction of Licocoumarone with Superoxide dismutase. (b) Elaborates the hydrogen bonds in green and the hydrophobic interaction in red.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Indicated bonding interaction of Resveratrol with Methylene tetrahydrofolate. (b) Elaborates the hydrogen bonds in green and the hydrophobic interaction in red.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Indicated bonding interaction of Curcumin with Matrix metalloproteinase-9 (b) elaborates the hydrogen bonds in green and the hydrophobic interaction in red.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Indicated bonding analysis of Claudin-5 with Licocumarone, (b) indicates the docked complex’s hydrogen bonds and other hydrophobic interactions.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Indicates docking interaction for Apolipoprotein with Curcumin. (b) Interaction analysis for docked complex presenting green colour for hydrogen bond and red for hydrophobic interactions.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(a) Docking interaction for Galangin with Amyloid protein, (b) Indicates hydrogen bond in green and hydrophobic interactions in red.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

(Left) Manhattan plot showing the significance of phrases enhanced by Reactome Pathways 2024.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Volcano plot illustrating the significance and odds ratio of gene sets from the Reactome 2022 pathway study.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

The dataset streamlined the top ten main Reactome paths.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Leiden algorithm-identified clusters for uniform manifold approximation and projection (UMAP) visualization of optimized gene sets.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Manhattan map of KEGG pathway enrichment.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

KEGG 2021 human enrichment study identified the top 10 most important pathways.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

The protein-protein interaction (PPI) network of CLDN5, APOE, MMP9, APLP1, SOD1, and MTHFR indicated their functional relationship with vascular integrity, oxidative stress, neuroinflammation, and amyloid metabolism.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Functional enrichment study of CLDN5, APOE, MMP9, APLP1, SOD1, and MTHFR revealed notably enhanced biological processes associated with blood-brain barrier integrity, oxidative stress, and neurovascular dysfunction.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

These genes were found in humans (left) and model animals (right): CLDN5, APOE, MMP9, APLP1, SOD1, and MTHFR.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Shows the role of the FOXO signaling pathway and SOD1 in vascular dementia.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Central Role of 5,10-Methylene-THF in DNA Synthesis, Methylation, and Homocysteine Regulation; One-Carbon Metabolism Pathway.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Matrix metalloproteinase-9 is involved in the SASP signaling pathway.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Claudin-5 is involved in one of the main proteins that control the blood-brain barrier (BBB).
حسب: Zhizhong Wang (838758)
منشور في: (2025)

Age-Rage Signaling pathway which involves Amyloid beta precursor-like protein.
حسب: Zhizhong Wang (838758)
منشور في: (2025)

dataset_S1
حسب: Gemma Atkinson (21994049)
منشور في: (2025)

Molecular docking of resveratrol with DNAJB9, SQSTM1, and MAPK9.
حسب: Yaojun Wang (309584)
منشور في: (2025)

ROC curve analysis of AUC and 95% CI for DNAJB9, SQSTM1, and MAPK9.
حسب: Yaojun Wang (309584)
منشور في: (2025)

KEGG enrichment analysis.
حسب: Yaojun Wang (309584)
منشور في: (2025)

Prediction of therapeutic drugs for key targets and molecular docking.
حسب: Yaojun Wang (309584)
منشور في: (2025)

LASSO regression screening of key targets and their internal validation analysis.
حسب: Yaojun Wang (309584)
منشور في: (2025)

Protein-protein network analysis.
حسب: Yaojun Wang (309584)
منشور في: (2025)

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