Staff View: Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]

Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]

Targeting the apoptosis-inducing pathway has drawn much attention in searching for a novel anticancer drug. Bcl-2 is the most studied antiapoptotic protein, recognised in aiding in cell survival and overexpressed in most cancer cells resulting in cancer resistance toward conventional treatment. The...

Full description

Saved in:

Bibliographic Details
Main Authors:	Abdullah, Mohamad Zakkirun, Bakar, Latifah Munirah, Arief Ichwan, Solachuddin Jauhari, Othman, Noratikah, Taher, Muhammad
Format:	Article
Language:	English
Published:	Universiti Teknologi MARA Cawangan Pulau Pinang 2022
Subjects:	Cancer Research. Experimentation
Online Access:	https://ir.uitm.edu.my/id/eprint/62610/1/62610.pdf https://ir.uitm.edu.my/id/eprint/62610/ https://uppp.uitm.edu.my/
Tags:	Add Tag No Tags, Be the first to tag this record!

id	my.uitm.ir.62610
record_format	eprints
spelling	my.uitm.ir.626102022-06-27T05:32:29Z https://ir.uitm.edu.my/id/eprint/62610/ Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.] Abdullah, Mohamad Zakkirun Bakar, Latifah Munirah Arief Ichwan, Solachuddin Jauhari Othman, Noratikah Taher, Muhammad Cancer Research. Experimentation Targeting the apoptosis-inducing pathway has drawn much attention in searching for a novel anticancer drug. Bcl-2 is the most studied antiapoptotic protein, recognised in aiding in cell survival and overexpressed in most cancer cells resulting in cancer resistance toward conventional treatment. The inhibition of Bcl-2 proteins become the main target for inducing apoptosis in cancer cells. β-mangostin received minimum attention in investigating anticancer properties as compared to its family such αmangostin. We performed molecular docking of β-mangostin, doxorubicin (in silico control) and ABT-737 (co-crystal Bcl-2 inhibitor) against antiapoptotic Bcl-2 protein using PyMol, Discovery Studio Biovia 2021, AutoDock Vina, and AutoDock Tools version 1.5.7. The result demonstrates for the first time that β-mangostin showed an optimum binding affinity with Bcl-2 (∆G −7.3 kcal/mol), similar to those shown by doxorubicin. The present results indicate that β-mangostin could potentially serve as Bcl-2 protein inhibitors, which would consequently lead to an apoptotic process in oral cancers. The present data warrant validation using in vitro and in vivo assays. Universiti Teknologi MARA Cawangan Pulau Pinang 2022-03 Article PeerReviewed text en https://ir.uitm.edu.my/id/eprint/62610/1/62610.pdf Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]. (2022) ESTEEM Academic Journal, 18: 12. pp. 128-138. ISSN 1675-7939 https://uppp.uitm.edu.my/
institution	Universiti Teknologi Mara
building	Tun Abdul Razak Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Teknologi Mara
content_source	UiTM Institutional Repository
url_provider	http://ir.uitm.edu.my/
language	English
topic	Cancer Research. Experimentation
spellingShingle	Cancer Research. Experimentation Abdullah, Mohamad Zakkirun Bakar, Latifah Munirah Arief Ichwan, Solachuddin Jauhari Othman, Noratikah Taher, Muhammad Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
description	Targeting the apoptosis-inducing pathway has drawn much attention in searching for a novel anticancer drug. Bcl-2 is the most studied antiapoptotic protein, recognised in aiding in cell survival and overexpressed in most cancer cells resulting in cancer resistance toward conventional treatment. The inhibition of Bcl-2 proteins become the main target for inducing apoptosis in cancer cells. β-mangostin received minimum attention in investigating anticancer properties as compared to its family such αmangostin. We performed molecular docking of β-mangostin, doxorubicin (in silico control) and ABT-737 (co-crystal Bcl-2 inhibitor) against antiapoptotic Bcl-2 protein using PyMol, Discovery Studio Biovia 2021, AutoDock Vina, and AutoDock Tools version 1.5.7. The result demonstrates for the first time that β-mangostin showed an optimum binding affinity with Bcl-2 (∆G −7.3 kcal/mol), similar to those shown by doxorubicin. The present results indicate that β-mangostin could potentially serve as Bcl-2 protein inhibitors, which would consequently lead to an apoptotic process in oral cancers. The present data warrant validation using in vitro and in vivo assays.
format	Article
author	Abdullah, Mohamad Zakkirun Bakar, Latifah Munirah Arief Ichwan, Solachuddin Jauhari Othman, Noratikah Taher, Muhammad
author_facet	Abdullah, Mohamad Zakkirun Bakar, Latifah Munirah Arief Ichwan, Solachuddin Jauhari Othman, Noratikah Taher, Muhammad
author_sort	Abdullah, Mohamad Zakkirun
title	Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
title_short	Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
title_full	Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
title_fullStr	Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
title_full_unstemmed	Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]
title_sort	molecular docking study of naturally derived β-mangostin with antiapoptotic bcl-2 proteins toward oral cancer treatment / mohamad zakkirun abdullah ... [et al.]
publisher	Universiti Teknologi MARA Cawangan Pulau Pinang
publishDate	2022
url	https://ir.uitm.edu.my/id/eprint/62610/1/62610.pdf https://ir.uitm.edu.my/id/eprint/62610/ https://uppp.uitm.edu.my/
_version_	1736837403916632064
score	13.211869

Molecular docking study of naturally derived β-mangostin with antiapoptotic Bcl-2 proteins toward oral cancer treatment / Mohamad Zakkirun Abdullah ... [et al.]

Similar Items