Scopus
YÖKSİS DOI Eşleşti
SJR Q2
Multifunctional approaches to provide potential pharmacophores for the pharmacy shelf: Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt.
Computational Biology and Chemistry · Şubat 2019
YÖKSİS Kayıtları
Multifunctional approaches to provide potential pharmacophores for the pharmacy shelf: Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt.
COMPUTATIONAL BIOLOGY AND CHEMISTRY · 2019 SCI
Prof. Dr. AHMET UYSAL →
Multifunctional approaches to provide potential pharmacophores for the pharmacy shelf: Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt.
COMPUTATIONAL BIOLOGY AND CHEMISTRY · 2019 SCI
Prof. Dr. GÖKHAN ZENGİN →
YÖKSİS Kayıtları — ISSN Eşleşmesi
In vitro and in silico evaluation of Centaurea saligna (K.Koch) Wagenitz—an endemic folk medicinal plant
2018 ISSN: 1476-9271 SCI
Prof. Dr. GÖKHAN ZENGİN →
New insights into the in vitro biological effects, in silico docking and chemical profile of clary sage – Salvia sclarea L.
2018 ISSN: 1476-9271 SCI-Expanded
Prof. Dr. GÖKHAN ZENGİN →
Multifunctional approaches to provide potential pharmacophores for the pharmacy shelf: Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt.
2019 ISSN: 1476-9271 SCI
Prof. Dr. AHMET UYSAL →
HPLC-DAD profiles and pharmacological insights of Onobrychis argyrea subsp isaurica extracts
2018 ISSN: 1476-9271 SCI
Prof. Dr. GÖKHAN ZENGİN →
Multi-targeted potential of Pittosporum senacia Putt.: HPLC-ESI-MSn analysis, in silico docking, DNA protection, antimicrobial, enzyme inhibition, anti-cancer and apoptotic activity
2019 ISSN: 1476-9271 SCI-Expanded
Prof. Dr. GÖKHAN ZENGİN →
Chemical characterization, computational analysis and biological views on Daphne gnidioides Jaub. Spach extracts: Can a new raw material be provided for biopharmaceutical applications?
2020 ISSN: 1476-9271 SCI-Expanded
Prof. Dr. GÖKHAN ZENGİN →
Chemical characterization, computational analysis and biological views on Daphne gnidioides Jaub. Spach extracts: Can a new raw material be provided for biopharmaceutical applications?
2020 ISSN: 1476-9271 SCI-Expanded
Prof. Dr. GÖKHAN ZENGİN →
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors
2024 ISSN: 1476-9271 SCI-Expanded Q2
Prof. Dr. GÖKHAN ZENGİN →
Makale Bilgileri
ISSN14769271
Yayın TarihiŞubat 2019
Cilt / Sayfa78 · 64-73
Scopus ID2-s2.0-85057186445
Özet
Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt. commonly known as “hogweed” is traditionally used to manage several human ailments. This investigation assessed, for the first time, the enzyme inhibitory properties, antioxidant activity, phytochemical profile, antimutagenic, and antimicrobial potential of the ethyl acetate, methanol, and water extracts of H. sphondylium. We also established the possible interactions of identified phenolic compounds with cholinesterases, amylase, glucosidase, and tyrosinase using in silico docking studies. Chlorogenic acid was found in high amounts in the methanol extract of H. sphondylium. The methanol extract was an effective inhibitor of acetylcholinesterase (1.70 mg galantamine equivalent (GALAE)/g extract) while the ethyl acetate extract showed pronounced inhibitory action against butyrylcholinesterase (1.77 mg GALAE/g extract). The extracts exhibited low inhibition against amylase (0.12-0.84 mmol acarbose equivalent (ACAE)/g extract) and a more pronounced inhibition against glucosidase (2.29–3.65 mmol ACAE/g extract). In silico results showed that rutin and quercetin (-70.4 and -72.2 Kcal/mol, for rutin and quercetin respectively) docked to the enzymatic cavity of acetylcholinesterase but these phenolic compounds showed less affinity with butyrylcholinesterase (-15.0 and -5.2 Kcal/mol, for rutin and quercetin respectively). The extracts did not induce any mutations on the bacterial strains, while they have excellent antimutagenic capacity against well-known mutagens (inhibition values 98%, 97% and 96%). The methanol extract (0.78 mg/ml) showed moderate antifungal activity while the ethyl acetate extract (0.78–3.12 mg/ml) showed weak to moderate antimicrobial activity. This study provides valuable baseline data which might serve for the development of future pharmacophores for the management of human ailments.
Yazarlar (7)
1
Ahmet Uysal
2
Omer Yilmaz Ozer
3
Gokhan Zengin
ORCID: 0000-0001-6548-7823
4
Azzurra Stefanucci
5
Adriano Mollica
6
Carene Marie Nancy Picot-Allain
7
Mohamad Fawzi Mahomoodally
Anahtar Kelimeler
Acetylcholinesterase
Antimicrobial
Hogweed
Industrial uses
In silico
Phenolic
Kurumlar
Selçuk Üniversitesi
Selçuklu Turkey
University of G. d'Annunzio Chieti and Pescara
Chieti Italy
University of Mauritius
Reduit Mauritius
Scimago Dergi (ISSN Eşleşmesi)
Computational Biology and Chemistry
Q2
SJR Skoru0,561
H-Index76
YayıncıElsevier Ltd
ÜlkeUnited Kingdom
Computational Mathematics (Q2)
Organic Chemistry (Q2)
Biochemistry (Q3)
Structural Biology (Q3)
Metrikler
56
Atıf
7
Yazar
6
Anahtar Kelime