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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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 |
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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 |
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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. |
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School of Physical and Mathematical Sciences |
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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 |
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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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1681049386389340160 |