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The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.

Cholinesterases (ChEs) are enzymes that break down neurotransmitters associated with cognitive function and memory. We isolated cinnamic acids (1 and 2), indolinones (3 and 4), and cycloartane triterpenoid derivatives (5–19) from the roots of Cimicifuga dahurica (Turcz.) Maxim. by chromatography. Th...

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Autores principales: Kim, Jang Hoon, Thao, Nguyen Phuong, Han, Yoo Kyong, Lee, Young Suk, Luyen, Bui Thi Thuy, Oanh, Ha Van, Kim, Young Ho, Yang, Seo Young
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6179041/
https://www.ncbi.nlm.nih.gov/pubmed/30286669
http://dx.doi.org/10.1080/14756366.2018.1491847
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author Kim, Jang Hoon
Thao, Nguyen Phuong
Han, Yoo Kyong
Lee, Young Suk
Luyen, Bui Thi Thuy
Oanh, Ha Van
Kim, Young Ho
Yang, Seo Young
author_facet Kim, Jang Hoon
Thao, Nguyen Phuong
Han, Yoo Kyong
Lee, Young Suk
Luyen, Bui Thi Thuy
Oanh, Ha Van
Kim, Young Ho
Yang, Seo Young
author_sort Kim, Jang Hoon
collection PubMed
description Cholinesterases (ChEs) are enzymes that break down neurotransmitters associated with cognitive function and memory. We isolated cinnamic acids (1 and 2), indolinones (3 and 4), and cycloartane triterpenoid derivatives (5–19) from the roots of Cimicifuga dahurica (Turcz.) Maxim. by chromatography. These compounds were evaluated for their inhibitory activity toward ChEs. Compound 1 was determined to have an IC(50) value of 16.7 ± 1.9 μM, and to act as a competitive inhibitor of acetylcholinesterase (AChE). Compounds 3, 4 and 14 were found to be noncompetitive with IC(50) values of 13.8 ± 1.5 and 6.5 ± 2.5 μM, and competitive with an IC(50) value of 22.6 ± 0.4 μM, respectively, against butyrylcholinesterase (BuChE). Our molecular simulation suggested each key amino acid, Tyr337 of AChE and Asn228 of BuChE, which were corresponded with potential inhibitors 1, and 3 and 4, respectively. Compounds 1 and 4 were revealed to be promising compounds for inhibition of AChEs and BuChEs, respectively.
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spelling pubmed-61790412018-10-12 The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim. Kim, Jang Hoon Thao, Nguyen Phuong Han, Yoo Kyong Lee, Young Suk Luyen, Bui Thi Thuy Oanh, Ha Van Kim, Young Ho Yang, Seo Young J Enzyme Inhib Med Chem Research Paper Cholinesterases (ChEs) are enzymes that break down neurotransmitters associated with cognitive function and memory. We isolated cinnamic acids (1 and 2), indolinones (3 and 4), and cycloartane triterpenoid derivatives (5–19) from the roots of Cimicifuga dahurica (Turcz.) Maxim. by chromatography. These compounds were evaluated for their inhibitory activity toward ChEs. Compound 1 was determined to have an IC(50) value of 16.7 ± 1.9 μM, and to act as a competitive inhibitor of acetylcholinesterase (AChE). Compounds 3, 4 and 14 were found to be noncompetitive with IC(50) values of 13.8 ± 1.5 and 6.5 ± 2.5 μM, and competitive with an IC(50) value of 22.6 ± 0.4 μM, respectively, against butyrylcholinesterase (BuChE). Our molecular simulation suggested each key amino acid, Tyr337 of AChE and Asn228 of BuChE, which were corresponded with potential inhibitors 1, and 3 and 4, respectively. Compounds 1 and 4 were revealed to be promising compounds for inhibition of AChEs and BuChEs, respectively. Taylor & Francis 2018-10-05 /pmc/articles/PMC6179041/ /pubmed/30286669 http://dx.doi.org/10.1080/14756366.2018.1491847 Text en © 2018 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Paper
Kim, Jang Hoon
Thao, Nguyen Phuong
Han, Yoo Kyong
Lee, Young Suk
Luyen, Bui Thi Thuy
Oanh, Ha Van
Kim, Young Ho
Yang, Seo Young
The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title_full The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title_fullStr The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title_full_unstemmed The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title_short The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim.
title_sort insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of cimicifuga dahurica (turcz.) maxim.
topic Research Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6179041/
https://www.ncbi.nlm.nih.gov/pubmed/30286669
http://dx.doi.org/10.1080/14756366.2018.1491847
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