Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies

In the search for new estrogen receptor alpha (ERα) modulators, a trial molecular screening was conducted and 5,6-dihydroxybenzofuran was identified as a possible drug target for ERα. The target molecular modelling molecule 1 and a series of 5,6-dihydroxybenzofurans have been synthesized and evaluat...

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Main Authors: Leow, Min Li, Chin, Christina Hui Li, Yu, Peggy Shuang, Pasunooti, Kalyan Kumar, Tay, Raymond Xu Zhan, Zhang, Dawei, Yoon, Ho Sup, Liu, Xue-Wei
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
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Online Access:https://hdl.handle.net/10356/99750
http://hdl.handle.net/10220/17385
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-997502020-03-07T12:34:48Z Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies Leow, Min Li Chin, Christina Hui Li Yu, Peggy Shuang Pasunooti, Kalyan Kumar Tay, Raymond Xu Zhan Zhang, Dawei Yoon, Ho Sup Liu, Xue-Wei School of Physical and Mathematical Sciences DRNTU::Science::Chemistry::Biochemistry In the search for new estrogen receptor alpha (ERα) modulators, a trial molecular screening was conducted and 5,6-dihydroxybenzofuran was identified as a possible drug target for ERα. The target molecular modelling molecule 1 and a series of 5,6-dihydroxybenzofurans have been synthesized and evaluated for their anti-proliferation activities against MCF-7 and MDA-MB-231 cells. From the SAR studies, potential functional groups have been identified, the two hydroxyl groups at C-5 and C-6 and the phenyl ring at C-2, which showed considerable cytotoxicity in MCF-7 breast cancer cells. In addition, the apoptotic abilities of the compounds have been measured in both MCF-7 ER(+) and MDA-MB-231 ER(-) breast cancer cells. The results demonstrated that our compounds inhibit MCF-7 breast cancer cells via ER(+). These preliminary results provide valuable information towards the identification of important functional groups present on 5,6-dihydroxybenzofuran, which could be a promising scaffold for designing novel ER ligands. 2013-11-07T06:59:03Z 2019-12-06T20:11:01Z 2013-11-07T06:59:03Z 2019-12-06T20:11:01Z 2013 2013 Journal Article Leow, M. L., Chin, C. H. L., Yu, P. S., Pasunooti, K. K., Tay, R. X. Z., Zhang, D., et al. (2013). Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies. Current medicinal chemistry, 20(22), 2820-2837. 0929-8673 https://hdl.handle.net/10356/99750 http://hdl.handle.net/10220/17385 10.2174/0929867311320220007 en Current medicinal chemistry
institution Nanyang Technological University
building NTU Library
country Singapore
collection DR-NTU
language English
topic DRNTU::Science::Chemistry::Biochemistry
spellingShingle DRNTU::Science::Chemistry::Biochemistry
Leow, Min Li
Chin, Christina Hui Li
Yu, Peggy Shuang
Pasunooti, Kalyan Kumar
Tay, Raymond Xu Zhan
Zhang, Dawei
Yoon, Ho Sup
Liu, Xue-Wei
Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
description In the search for new estrogen receptor alpha (ERα) modulators, a trial molecular screening was conducted and 5,6-dihydroxybenzofuran was identified as a possible drug target for ERα. The target molecular modelling molecule 1 and a series of 5,6-dihydroxybenzofurans have been synthesized and evaluated for their anti-proliferation activities against MCF-7 and MDA-MB-231 cells. From the SAR studies, potential functional groups have been identified, the two hydroxyl groups at C-5 and C-6 and the phenyl ring at C-2, which showed considerable cytotoxicity in MCF-7 breast cancer cells. In addition, the apoptotic abilities of the compounds have been measured in both MCF-7 ER(+) and MDA-MB-231 ER(-) breast cancer cells. The results demonstrated that our compounds inhibit MCF-7 breast cancer cells via ER(+). These preliminary results provide valuable information towards the identification of important functional groups present on 5,6-dihydroxybenzofuran, which could be a promising scaffold for designing novel ER ligands.
author2 School of Physical and Mathematical Sciences
author_facet School of Physical and Mathematical Sciences
Leow, Min Li
Chin, Christina Hui Li
Yu, Peggy Shuang
Pasunooti, Kalyan Kumar
Tay, Raymond Xu Zhan
Zhang, Dawei
Yoon, Ho Sup
Liu, Xue-Wei
format Article
author Leow, Min Li
Chin, Christina Hui Li
Yu, Peggy Shuang
Pasunooti, Kalyan Kumar
Tay, Raymond Xu Zhan
Zhang, Dawei
Yoon, Ho Sup
Liu, Xue-Wei
author_sort Leow, Min Li
title Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
title_short Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
title_full Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
title_fullStr Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
title_full_unstemmed Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
title_sort benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics : in silico and experimental studies
publishDate 2013
url https://hdl.handle.net/10356/99750
http://hdl.handle.net/10220/17385
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