In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin

Survivin is a member of the inhibitor of apoptosis (IAP) family and is reportedly overexpressed in various types of human malignancies. Because the phytochemical compounds dentatin, nordentatin, and quercetin have demonstrated antiproliferative effects in various cancer cell lines, we compared their...

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Main Authors:	Afriza, Dhona, Suriyah, Wastuti Hidayati, Arief Ichwan, Solachuddin Jauhari
Format:	Conference or Workshop Item
Language:	English English
Published:	Institute of Physics Publishing 2018
Subjects:	RM300 Drugs and their action RS192 Materia Medica-Pharmaceutical Technology
Online Access:	http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/1/66687_In%20silico%20analysis%20of%20molecular%20interactions.pdf http://irep.iium.edu.my/66687/2/66687_In%20silico%20analysis%20of%20molecular%20interactions_SCOPUS.pdf

id	iium-66687
recordtype	eprints
spelling	iium-666872019-01-02T04:06:10Z http://irep.iium.edu.my/66687/ In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin Afriza, Dhona Suriyah, Wastuti Hidayati Arief Ichwan, Solachuddin Jauhari RM300 Drugs and their action RS192 Materia Medica-Pharmaceutical Technology Survivin is a member of the inhibitor of apoptosis (IAP) family and is reportedly overexpressed in various types of human malignancies. Because the phytochemical compounds dentatin, nordentatin, and quercetin have demonstrated antiproliferative effects in various cancer cell lines, we compared their binding affinities for survivin in silico. Molecular docking analyses were performed using PyMol, Discovery Studio Biovia 2017, AutoDock Vina, and AutoDock Tools version 1.5.4. These computations indicated greater survivin binding affinity of quercetin (ΔG −7.0 kcal/mol) than nordentatin and dentatin (ΔG −6.5 and −5.5 kcal/mol, respectively), but suggest that all three compounds act as ligand inhibitors of survivin. The present data warrant validation using in vitro and in vivo assays. Institute of Physics Publishing 2018 Conference or Workshop Item PeerReviewed application/pdf en http://irep.iium.edu.my/66687/1/66687_In%20silico%20analysis%20of%20molecular%20interactions.pdf application/pdf en http://irep.iium.edu.my/66687/2/66687_In%20silico%20analysis%20of%20molecular%20interactions_SCOPUS.pdf Afriza, Dhona and Suriyah, Wastuti Hidayati and Arief Ichwan, Solachuddin Jauhari (2018) In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin. In: 2nd Physics and Technologies in Medicine and Dentistry Symposium (PTMDS 2018), 18th July 2018, West Java, Indonesia. http://iopscience.iop.org/article/10.1088/1742-6596/1073/3/032001 10.1088/1742-6596/1073/3/032001
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English
topic	RM300 Drugs and their action RS192 Materia Medica-Pharmaceutical Technology
spellingShingle	RM300 Drugs and their action RS192 Materia Medica-Pharmaceutical Technology Afriza, Dhona Suriyah, Wastuti Hidayati Arief Ichwan, Solachuddin Jauhari In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
description	Survivin is a member of the inhibitor of apoptosis (IAP) family and is reportedly overexpressed in various types of human malignancies. Because the phytochemical compounds dentatin, nordentatin, and quercetin have demonstrated antiproliferative effects in various cancer cell lines, we compared their binding affinities for survivin in silico. Molecular docking analyses were performed using PyMol, Discovery Studio Biovia 2017, AutoDock Vina, and AutoDock Tools version 1.5.4. These computations indicated greater survivin binding affinity of quercetin (ΔG −7.0 kcal/mol) than nordentatin and dentatin (ΔG −6.5 and −5.5 kcal/mol, respectively), but suggest that all three compounds act as ligand inhibitors of survivin. The present data warrant validation using in vitro and in vivo assays.
format	Conference or Workshop Item
author	Afriza, Dhona Suriyah, Wastuti Hidayati Arief Ichwan, Solachuddin Jauhari
author_facet	Afriza, Dhona Suriyah, Wastuti Hidayati Arief Ichwan, Solachuddin Jauhari
author_sort	Afriza, Dhona
title	In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
title_short	In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
title_full	In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
title_fullStr	In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
title_full_unstemmed	In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
title_sort	in silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin
publisher	Institute of Physics Publishing
publishDate	2018
url	http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/ http://irep.iium.edu.my/66687/1/66687_In%20silico%20analysis%20of%20molecular%20interactions.pdf http://irep.iium.edu.my/66687/2/66687_In%20silico%20analysis%20of%20molecular%20interactions_SCOPUS.pdf
first_indexed	2023-09-18T21:34:42Z
last_indexed	2023-09-18T21:34:42Z
_version_	1777412743156989952

In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin

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