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Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C.
Chem Biodivers. 2019 May; 16(5):e1900017.CB

Abstract

Cholinergic therapy based on cholinesterase (ChE) inhibitory drugs is the mainstay for the treatment of Alzheimer's disease. Therefore, an extensive research has been continuing for the discovery of drug candidates as inhibitors of acetyl- and butyrylcholinesterase. In this study, two natural molecules, e. g. hyperforin and hyuganin C were tested in vitro for their AChE and BChE inhibitory activity. Both of the compounds were ineffective against AChE, whereas hyperforin (IC50 =141.60±3.39 μm) and hyuganin C (IC50 =38.86±1.69 μm) were found to be the highly active inhibitors of BChE as compared to galantamine (IC50 =46.58±0.91 μm) which was used as the reference. Then, these molecules were further proceeded to molecular docking experiments in order to establish their interactions at the active site of BChE. The molecular docking results indicated that both of them are able to block the access to key residues in the catalytic triad of the enzyme, while they complement some of the hydrophobic residues of the cavity, what is consistent with our in vitro data. While both compounds were predicted as mutagenic, only hyuganin C showed hepatotoxicity in in silico analysis. According to whole outcomes that we obtained, particularly hyuganin C besides hyperforin are the promising BChE inhibitors, which can be the promising compounds for AD therapy.

Authors+Show Affiliations

Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, 06330, Ankara, Turkey.Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, 06330, Ankara, Turkey.IT-Department, UiT - the, Arctic University of Norway, 9037, Tromsø, Norway.Bioinformatics and High Performance Computing Research Group, Universidad Católica San Antonio de Murcia (UCAM), 30107, Guadalupe, Spain.Bioinformatics and High Performance Computing Research Group, Universidad Católica San Antonio de Murcia (UCAM), 30107, Guadalupe, Spain.Bioinformatics and High Performance Computing Research Group, Universidad Católica San Antonio de Murcia (UCAM), 30107, Guadalupe, Spain.Bioinformatics and High Performance Computing Research Group, Universidad Católica San Antonio de Murcia (UCAM), 30107, Guadalupe, Spain.Department of Pharmaceutical Toxicology, Faculty of Pharmacy, Gazi University, 06330, Ankara, Turkey.Department of Pharmacognosy with Medicinal Plant Unit, Medical University of Lublin, 20-093, Lublin, Poland.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

30891904

Citation

Orhan, Ilkay Erdogan, et al. "Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C." Chemistry & Biodiversity, vol. 16, no. 5, 2019, pp. e1900017.
Orhan IE, Senol Deniz FS, Traedal-Henden S, et al. Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C. Chem Biodivers. 2019;16(5):e1900017.
Orhan, I. E., Senol Deniz, F. S., Traedal-Henden, S., Cerón-Carrasco, J. P., den Haan, H., Peña-García, J., Pérez-Sánchez, H., Emerce, E., & Skalicka-Wozniak, K. (2019). Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C. Chemistry & Biodiversity, 16(5), e1900017. https://doi.org/10.1002/cbdv.201900017
Orhan IE, et al. Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C. Chem Biodivers. 2019;16(5):e1900017. PubMed PMID: 30891904.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Profiling Auspicious Butyrylcholinesterase Inhibitory Activity of Two Herbal Molecules: Hyperforin and Hyuganin C. AU - Orhan,Ilkay Erdogan, AU - Senol Deniz,F Sezer, AU - Traedal-Henden,Steinar, AU - Cerón-Carrasco,José P, AU - den Haan,Helena, AU - Peña-García,Jorge, AU - Pérez-Sánchez,Horacio, AU - Emerce,Esra, AU - Skalicka-Wozniak,Krystyna, Y1 - 2019/04/10/ PY - 2019/01/10/received PY - 2019/03/19/accepted PY - 2019/3/21/pubmed PY - 2019/6/1/medline PY - 2019/3/21/entrez KW - butyrylcholinesterase KW - coumarin KW - enzyme inhibition KW - molecular docking KW - natural products SP - e1900017 EP - e1900017 JF - Chemistry & biodiversity JO - Chem. Biodivers. VL - 16 IS - 5 N2 - Cholinergic therapy based on cholinesterase (ChE) inhibitory drugs is the mainstay for the treatment of Alzheimer's disease. Therefore, an extensive research has been continuing for the discovery of drug candidates as inhibitors of acetyl- and butyrylcholinesterase. In this study, two natural molecules, e. g. hyperforin and hyuganin C were tested in vitro for their AChE and BChE inhibitory activity. Both of the compounds were ineffective against AChE, whereas hyperforin (IC50 =141.60±3.39 μm) and hyuganin C (IC50 =38.86±1.69 μm) were found to be the highly active inhibitors of BChE as compared to galantamine (IC50 =46.58±0.91 μm) which was used as the reference. Then, these molecules were further proceeded to molecular docking experiments in order to establish their interactions at the active site of BChE. The molecular docking results indicated that both of them are able to block the access to key residues in the catalytic triad of the enzyme, while they complement some of the hydrophobic residues of the cavity, what is consistent with our in vitro data. While both compounds were predicted as mutagenic, only hyuganin C showed hepatotoxicity in in silico analysis. According to whole outcomes that we obtained, particularly hyuganin C besides hyperforin are the promising BChE inhibitors, which can be the promising compounds for AD therapy. SN - 1612-1880 UR - https://www.unboundmedicine.com/medline/citation/30891904/Profiling_Auspicious_Butyrylcholinesterase_Inhibitory_Activity_of_Two_Herbal_Molecules:_Hyperforin_and_Hyuganin_C_ L2 - https://doi.org/10.1002/cbdv.201900017 DB - PRIME DP - Unbound Medicine ER -