Acetylcholinesterase inhibitory activity from <i>Amaryllis belladonna</i> growing in Chile: enzymatic and molecular docking studies

Mella, M Rebeca; Moraga-Nicolás, Felipe; Machuca, Juan; Quiróz, Andrés; Mutis, Ana; Becerra, José; Astudillo, Álvaro; Hormazábal, Emilio

doi:10.1080/14786419.2021.1872075

Cited by 6 publications

(6 citation statements)

References 15 publications

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“…The incidence rate of AD is increasing year by year because of the growing population aging. It is one of the most common ways to prevent AD by increasing the level of acetylcholine (Ach) in the nervous system which means that AD can be prevented by reducing the AchE level [35,36] …”

Section: Resultsmentioning

confidence: 99%

“…It is one of the most common ways to prevent AD by increasing the level of acetylcholine (Ach) in the nervous system which means that AD can be prevented by reducing the AchE level. [35,36] It is reported that coumarins in S. glabra have AchE inhibitory activity. [4] Therefore, the AchE inhibitory activity of nine coumarins was evaluated.…”

Section: Ache Inhibitory Activitiesmentioning

confidence: 99%

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Coumarins from Sarcandra glabra (Thunb.) Nakai and Acetylcholinesterase Inhibiting Activity

Bai

Zhang

et al. 2022

Chemistry & Biodiversity

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Nine coumarins including a pair of new enantiomers (1a/1b) and seven known compounds (2 -8) were isolated from Sarcandra glabra (Thunb.) Nakai. Among them, compounds 1a and 1b were naturally occurring coumarin-phenylpropanoid conjugate enantiomers. Their structures were identified by NMR and ECD calculations. Compounds 1-8 were tested for acetylcholinesterase (AchE) inhibiting activity. The results of the enzymology experiment showed that compound 3 demonstrated obvious AchE inhibitory activity which showed the IC 50 value of 1.982 � 0.003 μM, and the binding sites were predicted by molecular docking.

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Section: Resultsmentioning

confidence: 99%

Section: Ache Inhibitory Activitiesmentioning

confidence: 99%

Coumarins from Sarcandra glabra (Thunb.) Nakai and Acetylcholinesterase Inhibiting Activity

Bai

Zhang

et al. 2022

Chemistry & Biodiversity

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“…The interaction between ligands and the refined 3D structure of Electrophorus electricus AChE (PDB ID: 1C2B Figure S2) was simulated by molecular docking (Moraga-Nicolas et al 2018;Mella et al 2021). Despite the availability of many AChE enzymes, Electrophorus electricus (PDB ID: 1C2B) was selected for docking studies because the same enzyme was used for the in vitro testing.…”

Section: Molecular Dockingmentioning

confidence: 99%

Chemical composition, acetylcholinesterase inhibition and molecular docking studies of essential oil from Knema hookeriana Warb. (Myristicaceae)

Salihu

Salleh

Ogunwa

2023

Natural Product Research

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The genus Knema Lour. is distributed mainly in Southeast Asian and widely used in folk medicine for treating diseases such as jaundice, chronic fever, and inflammation. The chemical composition, acetylcholinesterase inhibition, and molecular docking studies of essential oil from Knema hookeriana Warb. were investigated in this study. The essential oil was achieved through hydrodistillation and was characterised using gas chromatography (GC-FID) and gas chromatography-mass spectrometry (GC-MS). The acetylcholinesterase inhibitory activity was evaluated using Ellman method while molecular docking studies were carried out using Autodock v.4.3.2. The results revealed that the essential oil examined consisted mainly of β-caryophyllene (26.2%), germacrene D (12.5%), δ-cadinene (9.2%), germacrene B (8.8%) and bicyclogermacrene (5.5%). The essential oil showed acetylcholinesterase activity with IC 50 value of 70.5 µg/mL. The enzyme-ligand molecular docking study showed that β-caryophyllene and δ-cadinene exhibited good binding affinities towards AChE with docking scores -8.1 kcal/mol and -8.3 kcal/mol, respectively.

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“…Buphanidrine, isolated from an extract of Amaryllis belladonna and showing in vitro high AChE inhibitory activity, was subjected to molecular docking using the apo (no ligand bound) form of Electrophorus electrus AChE (eeAChE) (PDB code: 1C2B) (Mella et al 2021). The predicted pose of binding reveals that buphanidrine is located at the PAS region, with higher score (8.3 kcal/mol) than that of galanthamine (7.9 kcal/mol) which is not in agreement with their in vitro AChE inhibitory activities (IC 50 value of 17.56 lg/ml, and 0.39 lg/ml, respectively).…”

Section: Docking Studies On Other Amaryllidaceae Alkaloidsmentioning

confidence: 99%

The Amaryllidaceae alkaloids: an untapped source of acetylcholinesterase inhibitors

et al. 2021

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The AChE inhibitory activity of alkaloid extracts and compounds has been in the focus of research on the plants of Amaryllidoideae subfamily since the approval of galanthamine in 2001 by FDA for treatment of mild to moderate Alzheimer's disease. A small fraction of the huge biodiversity of the plants producing Amaryllidaceae alkaloids has been studied as a source of AChE inhibitors. Less than 20% of the known Amaryllidaceae alkaloids have been tested in vitro for their ability to inhibit AChE. Galanthamine, lycorine and haemanthamine are scaffolds for semi-synthesis of potent AChE inhibitors. In the last years, galanthamine has been studied in silico for drug optimization and synthesis of potent dual-binding AChE inhibitors. In silico studies of other Amaryllidaceae alkaloids have also provoked the interest of researchers in the last years. The aim of this article is to provide a comprehensive review on studies of the AChE inhibitory activity of extracts and compounds from the plants of Amaryllidoideae subfamily covering the literature from the last two decades.

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Acetylcholinesterase inhibitory activity from Amaryllis belladonna growing in Chile: enzymatic and molecular docking studies

Cited by 6 publications

References 15 publications

Coumarins from Sarcandra glabra (Thunb.) Nakai and Acetylcholinesterase Inhibiting Activity

Coumarins from Sarcandra glabra (Thunb.) Nakai and Acetylcholinesterase Inhibiting Activity

Chemical composition, acetylcholinesterase inhibition and molecular docking studies of essential oil from Knema hookeriana Warb. (Myristicaceae)

The Amaryllidaceae alkaloids: an untapped source of acetylcholinesterase inhibitors

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