Scopus
YÖKSİS DOI Eşleşti
SJR Q1
Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon
Journal of Molecular Liquids · Mart 2024
YÖKSİS Kayıtları
Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon
Journal of Molecular Liquids · 2024 SCI-Expanded
Prof. Dr. AHMET UYSAL →
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Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon
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Makale Bilgileri
ISSN01677322
Yayın TarihiMart 2024
Cilt / Sayfa398
Scopus ID2-s2.0-85184838121
Özet
The members of the genus Marrubium are of great interest because they contain biologically active compounds. With in this mind, we aimed to examine the chemical profiles and biological activities (antioxidant, enzyme inhibition and antimicrobial effects) of different extracts of Marrubium astracanicum subsp. macrodon. Extractions of the plants were carried out with the solvent n-hexane, acetone, acetone/water (70 %), and water. The antioxidant activity of these extracts was evaluated through six different assays, namely 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), metal chelating ability (MCA), and phosphomolybdenum (PBD). Additionally, the inhibitory effects of these solvents on five enzymes acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were investigated. The study detected 38 compounds in a plant, with the highest content in acetone and acetone/water extracts. The acetone/water extract demonstrated the highest antioxidant activity aligning with its superior total phenolic (51.9 mg gallic acid equivalent (GAE)/g) and flavonoid (31.0 mg rutin equivalent (RE)/g) content, highlighting a direct correlation between bioactive compound concentration and antioxidant potential across various assays. Regarding the enzyme inhibition activity, the acetone/water extract of this plant exhibited significant AChE inhibition measuring 2.5 mg galantamine equivalent (GALAE)/g and anti-glucosidase activity measuring 1.2 mmol acarbose equivalent (ACAE)/g. In antimicrobial evaluation, the acetone extract exhibited good antimicrobial activity against B. cereus at 0.2 mg/ml dose. In molecular docking analysis, delphinidin 3,5 diglucoside showed a good interaction with the active site of AChE active. Through the application of network pharmacology, an in-depth exploration was conducted to unravel the potential of compounds from M. astracanicum against Alzheimer's disease. The study specifically focused on identifying key targets within the Alzheimer's disease pathway, pinpointing crucial proteins such as Glycogen synthase kinase-3 (GSK3), Prostaglandin-endoperoxide synthase 2 (PTGS2), and Alzheimer's-associated amyloid precursor protein (APP). In summary, the plant can serve as a valuable ingredient in the production of functional products within the pharmaceutical, nutraceutical, and cosmeceutical applications.
Yazarlar (11)
1
Ömer Kaan Avşar
2
Sevgi Kasbolat
3
Gunes Ak
4
Nilofar
5
Giovanni Caprioli
ORCID: 0000-0002-5530-877X
6
Agnese Santanatoglia
7
Ahmet Uysal
8
Abdullahi Ibrahim Uba
9
Sathish Kumar M. Ponniya
10
Mehmet Yavuz Paksoy
11
Gokhan Zengin
ORCID: 0000-0001-6548-7823
Anahtar Kelimeler
Antioxidant
Bioactive agents
In silico
Marribium
Network pharmacology
Phenolics
Kurumlar
İstanbul Arel Üniversitesi
Istanbul Turkey
Konya Gida ve Tarim Üniversitesi
Konya Turkey
Munzur University
Tunceli Turkey
Pondicherry University
Puducherry India
Selçuk Üniversitesi
Selçuklu Turkey
Università degli Studi di Camerino
Camerino Italy
University of G. d'Annunzio Chieti and Pescara
Chieti Italy
Scimago Dergi (ISSN Eşleşmesi)
Journal of Molecular Liquids
Q1
OA
SJR Skoru0,876
H-Index202
YayıncıElsevier B.V.
ÜlkeNetherlands
Atomic and Molecular Physics, and Optics (Q1)
Condensed Matter Physics (Q1)
Electronic, Optical and Magnetic Materials (Q1)
Materials Chemistry (Q1)
Physical and Theoretical Chemistry (Q1)
Spectroscopy (Q1)
Metrikler
4
Atıf
11
Yazar
6
Anahtar Kelime