Design and Synthesis of Caffeic Amides by Structure-based Approaches

Novel caffeic acid amides were designed and evaluated for their antiproliferative activities against a panel of tumor cell lines. The development based on the caffeic core structure of the identified hit compound from virtual screening of 2,666 compounds against tyrosine kinase receptor. The compou...

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Main Authors: Chawannuch Mudjupa, Sewan Theeramunkong, Opa Vajragupta
Format: บทความวารสาร
Language:English
Published: Science Faculty of Chiang Mai University 2019
Online Access:http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8036
http://cmuir.cmu.ac.th/jspui/handle/6653943832/63896
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Institution: Chiang Mai University
Language: English
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spelling th-cmuir.6653943832-638962019-05-07T09:59:37Z Design and Synthesis of Caffeic Amides by Structure-based Approaches Chawannuch Mudjupa Sewan Theeramunkong Opa Vajragupta Novel caffeic acid amides were designed and evaluated for their antiproliferative activities against a panel of tumor cell lines. The development based on the caffeic core structure of the identified hit compound from virtual screening of 2,666 compounds against tyrosine kinase receptor. The compounds were designed by using amide to link the caffeic core with the privileged motif, thiazole via target-based approach. Molecular docking studies indicated that the designed compounds were nicely bound to the EGFR tyrosine kinase. Among the synthesized compounds, CAD1 and CAD2 exhibited potent antiproliferative activity against breast cancer MCF-7 cells with IC50 of 8.02 and 13.69 mM, respectively. The molecular mechanism was investigated and found that CAD1 and CAD2 induced cell death by apoptosis and inhibited EGFR kinase. 2019-05-07T09:59:37Z 2019-05-07T09:59:37Z 2017 บทความวารสาร 0125-2526 http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8036 http://cmuir.cmu.ac.th/jspui/handle/6653943832/63896 Eng Science Faculty of Chiang Mai University
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
language English
description Novel caffeic acid amides were designed and evaluated for their antiproliferative activities against a panel of tumor cell lines. The development based on the caffeic core structure of the identified hit compound from virtual screening of 2,666 compounds against tyrosine kinase receptor. The compounds were designed by using amide to link the caffeic core with the privileged motif, thiazole via target-based approach. Molecular docking studies indicated that the designed compounds were nicely bound to the EGFR tyrosine kinase. Among the synthesized compounds, CAD1 and CAD2 exhibited potent antiproliferative activity against breast cancer MCF-7 cells with IC50 of 8.02 and 13.69 mM, respectively. The molecular mechanism was investigated and found that CAD1 and CAD2 induced cell death by apoptosis and inhibited EGFR kinase.
format บทความวารสาร
author Chawannuch Mudjupa
Sewan Theeramunkong
Opa Vajragupta
spellingShingle Chawannuch Mudjupa
Sewan Theeramunkong
Opa Vajragupta
Design and Synthesis of Caffeic Amides by Structure-based Approaches
author_facet Chawannuch Mudjupa
Sewan Theeramunkong
Opa Vajragupta
author_sort Chawannuch Mudjupa
title Design and Synthesis of Caffeic Amides by Structure-based Approaches
title_short Design and Synthesis of Caffeic Amides by Structure-based Approaches
title_full Design and Synthesis of Caffeic Amides by Structure-based Approaches
title_fullStr Design and Synthesis of Caffeic Amides by Structure-based Approaches
title_full_unstemmed Design and Synthesis of Caffeic Amides by Structure-based Approaches
title_sort design and synthesis of caffeic amides by structure-based approaches
publisher Science Faculty of Chiang Mai University
publishDate 2019
url http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=8036
http://cmuir.cmu.ac.th/jspui/handle/6653943832/63896
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