In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3

In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3

Clinacanthus nutans has attracted Malaysian public interest due to its high medicinal value in the prevention of cancer. Currently, the specific compound or compounds giving rise to the anticancer potential of C. nutans has not been investigated thoroughly. The extraction was carried out by MeOH a...

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Bibliographic Details
Main Authors: Roziasyahira, Mutazah, Hazrulrizawati, Hamid, Aizi Nor Mazila, Ramli, Mohd F. F., Mohd Aluwi, M. M., Yusoff
Format: Article
Language:English
Published: Elsevier 2020
Subjects:
Q Science (General)
Online Access:http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/1/In%20vitro%20cytotoxicity%20of%20Clinacanthus.pdf
id ump-27643
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spelling ump-276432020-02-12T07:12:21Z http://umpir.ump.edu.my/id/eprint/27643/ In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3 Roziasyahira, Mutazah Hazrulrizawati, Hamid Aizi Nor Mazila, Ramli Mohd F. F., Mohd Aluwi M. M., Yusoff Q Science (General) Clinacanthus nutans has attracted Malaysian public interest due to its high medicinal value in the prevention of cancer. Currently, the specific compound or compounds giving rise to the anticancer potential of C. nutans has not been investigated thoroughly. The extraction was carried out by MeOH at room temperature using the powdered bark of C. nutans, while chromatography was carried out on a silica gel RP-18 column using the crude methanolic extract. Six fractions collected from column chromatography were evaluated by MTT assay against two breast cancer cell lines: MDA-MB-231 and MCF-7. Amongst the fractions, A12 and A17 were shown to exhibit the highest activity. Two sulphur-containing compounds, viz., entadamide C (1) and clinamide D (2), were isolated from these fractions. Molecular docking simulation studies revealed that entadamide C and clinamide D could bind favourably to the caspase-3 binding site with the binding energy of −4.28 kcal/mol and −4.84 kcal/mol, respectively. This study provides empirical evidence for the presence of sulphur-containing compounds in the leaves of C. nutans that displayed anticancer effects which explains its ethnomedicinal application against breast cancer. The docking simulation study showed that both compounds could serve as important templates for future drug design and development. Elsevier 2020 Article PeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/27643/1/In%20vitro%20cytotoxicity%20of%20Clinacanthus.pdf Roziasyahira, Mutazah and Hazrulrizawati, Hamid and Aizi Nor Mazila, Ramli and Mohd F. F., Mohd Aluwi and M. M., Yusoff (2020) In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3. Food and Chemical Toxicology, 135 (110869). pp. 1-9. ISSN 0278-6915 https://doi.org/10.1016/j.fct.2019.110869 https://doi.org/10.1016/j.fct.2019.110869
repository_type Digital Repository
institution_category Local University
institution Universiti Malaysia Pahang
building UMP Institutional Repository
collection Online Access
language English
topic Q Science (General)
spellingShingle Q Science (General)
Roziasyahira, Mutazah
Hazrulrizawati, Hamid
Aizi Nor Mazila, Ramli
Mohd F. F., Mohd Aluwi
M. M., Yusoff
In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
description Clinacanthus nutans has attracted Malaysian public interest due to its high medicinal value in the prevention of cancer. Currently, the specific compound or compounds giving rise to the anticancer potential of C. nutans has not been investigated thoroughly. The extraction was carried out by MeOH at room temperature using the powdered bark of C. nutans, while chromatography was carried out on a silica gel RP-18 column using the crude methanolic extract. Six fractions collected from column chromatography were evaluated by MTT assay against two breast cancer cell lines: MDA-MB-231 and MCF-7. Amongst the fractions, A12 and A17 were shown to exhibit the highest activity. Two sulphur-containing compounds, viz., entadamide C (1) and clinamide D (2), were isolated from these fractions. Molecular docking simulation studies revealed that entadamide C and clinamide D could bind favourably to the caspase-3 binding site with the binding energy of −4.28 kcal/mol and −4.84 kcal/mol, respectively. This study provides empirical evidence for the presence of sulphur-containing compounds in the leaves of C. nutans that displayed anticancer effects which explains its ethnomedicinal application against breast cancer. The docking simulation study showed that both compounds could serve as important templates for future drug design and development.
format Article
author Roziasyahira, Mutazah
Hazrulrizawati, Hamid
Aizi Nor Mazila, Ramli
Mohd F. F., Mohd Aluwi
M. M., Yusoff
author_facet Roziasyahira, Mutazah
Hazrulrizawati, Hamid
Aizi Nor Mazila, Ramli
Mohd F. F., Mohd Aluwi
M. M., Yusoff
author_sort Roziasyahira, Mutazah
title In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
title_short In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
title_full In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
title_fullStr In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
title_full_unstemmed In vitro cytotoxicity of Clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
title_sort in vitro cytotoxicity of clinacanthus nutans fractions on breast cancer cells and molecular docking study of sulphur containing compounds against caspase-3
publisher Elsevier
publishDate 2020
url http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/
http://umpir.ump.edu.my/id/eprint/27643/1/In%20vitro%20cytotoxicity%20of%20Clinacanthus.pdf
first_indexed 2023-09-18T22:43:27Z
last_indexed 2023-09-18T22:43:27Z
_version_ 1777417067744460800

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