Unveiling the Therapeutic Potential of Piper chaba Hunter: Computational Approaches Shed Light on Targeting Proteins in Alzheimer's Disease.
Alzheimer's disease (AD) is a prevalent neurodegenerative disorder, while the existing treatments primarily focus on alleviating symptoms rather than addressing the underlying pathophysiology. Seeking a safer alternative, the study explores the potential of Piper chaba Hunter as a promising drug lea...
| Publicado en: | BioMed Research International Vol. 2025; pp. 1 - 26 |
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| Autores principales: | , , , , , , , , , , , , , |
| Formato: | equations & formulas pictorial research tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
7/7/2025
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=186461696&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 186461696 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 23146133 FT2T jtl: BioMed Research International issn: 23146133 maglogo: N pubinfo: dt: 7/7/2025 vid: 2025 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 186461696 186461696 186461696 10.1155/bmri/8892801 186461696 ppf: 1 ppct: 25 formats: fmt: – @attributes: type: T – @attributes: type: C – @attributes: type: P tig: atl: Unveiling the Therapeutic Potential of Piper chaba Hunter: Computational Approaches Shed Light on Targeting Proteins in Alzheimer's Disease. aug: au: Rahi, Md. Sifat Rahman, Md. Shahedur Meem, Rima Islam Shimul, Md. Ebrahim Khalil Farnaj, Nahid Kabir, Md. Humaun Ahmed, Fee Faysal Parvez, Md. Anowar Khasru Huq, Md. Amdadul Kabir, Tabassum Harrath, Abdel Halim Hasan, Mahadi Rahman, Md. Ataur Siddique, Muhammad Hussnain affil: Department of Genetic Engineering and Biotechnology,, Jashore University of Science and Technology,, Jashore, Bangladesh, just.edu.bd sug: subj: Plants, Medicinal Therapeutic Use Plants, Medicinal Pharmacodynamics Plant Extracts Therapeutic Use Plant Extracts Pharmacodynamics Alzheimer's Disease Drug Therapy Nerve Tissue Proteins Drug Effects Drug Efficacy Evaluation Signal Transduction Drug Effects Drug Interactions Evaluation Phytochemicals Analysis Gas Chromatography-Mass Spectrometry Network Pharmacology Human Molecular Structure Plant Extracts Pharmacokinetics Gene Expression Profiling Bioinformatics Terpenes Analysis Benzoic Acids Analysis Phenols Analysis Esterases Analysis Gene Expression Cytochrome P-450 Enzyme System Drug Effects Molecular Docking Simulation Nuclear Physics Alzheimer's Disease Metabolism Descriptive Statistics Data Analysis Software ab: Alzheimer's disease (AD) is a prevalent neurodegenerative disorder, while the existing treatments primarily focus on alleviating symptoms rather than addressing the underlying pathophysiology. Seeking a safer alternative, the study explores the potential of Piper chaba Hunter as a promising drug lead for AD by eliciting the major signaling pathway, key players, and their interaction with phytochemicals from the plant extract. Initially, the phytochemicals in the P. chaba crude extract were identified using GC‐MS, and their physicochemical properties were verified using SwissADME. Protein–protein interaction (PPI) and signaling pathways–target proteins–compounds (STC) networks were analyzed to dig out target proteins and effective compounds for AD based on rigorous screening. Approximately 60 target proteins that interacted with GC‐MS‐identified compounds underwent PPI and STC networking which identified five compounds, a signaling pathway, and three target proteins with therapeutic potential. Three compounds, namely, bicyclo[7.2.0]undec‐4‐ene, 4,11,11‐trimethyl‐8‐methylene‐,[1R‐(1R∗,4Z,9S∗)], 2‐methoxybenzoic acid, 2,3‐dichlorophenyl ester, and (E)‐3‐butylidene‐4,5‐dihydroisobenzofuran‐1(3H)‐one, have the potential to modulate PTGS2, PLA2G4A, and CYP2C19 within metabolic signaling pathway, thus serving as promising therapeutic agents. Moreover, the drug likeliness and efficacy of those phytochemicals were justified by molecular docking tests (MDTs), molecular dynamics simulations (MDSs), and quantum chemistry analyses, which confirmed their ability to inhibit key targets to mitigate AD‐associated pathology. pubtype: Academic Journal doctype: equations & formulas pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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