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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| Format: | Proceeding Paper |
| Language: | English English |
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Institute of Physics Publishing
2018
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| Online Access: | 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 |
| _version_ | 1848786627131867136 |
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| 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 |
| building | IIUM Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-14T17:12:02Z |
| format | Proceeding Paper |
| id | iium-66687 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English English |
| last_indexed | 2025-11-14T17:12:02Z |
| publishDate | 2018 |
| publisher | Institute of Physics Publishing |
| recordtype | eprints |
| repository_type | Digital Repository |
| 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 Proceeding Paper 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 |
| 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 |
| title | 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_short | 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 |
| topic | RM300 Drugs and their action RS192 Materia Medica-Pharmaceutical Technology |
| 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 |