In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry
Aptamers are oligonucleotides and peptides with short and medium length around 15-100 nucleotides or amino acids and a molecule of interests due to its specific binding affinities to the vast array of target molecules such as ions, complex proteins and antigens up to cellular surface and cell organe...
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| Format: | Proceeding Paper |
| Language: | English English English |
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Elsevier Ltd.
2019
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| Online Access: | http://irep.iium.edu.my/82331/ http://irep.iium.edu.my/82331/1/82331_In-Silico%20Selection%20of%20Aptamer.pdf http://irep.iium.edu.my/82331/2/82331_In-Silico%20Selection%20of%20Aptamer_SCOPUS.pdf http://irep.iium.edu.my/82331/3/82331_In-Silico%20Selection%20of%20Aptamer_WOS.pdf |
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| author | Sabri, Mohamad Zulkeflee Abdul Hamid, Azzmer Azzar Sayed Hitam, Sharifah Mariam Abdul Rahim, Mohd. Zulkhairi |
| author_facet | Sabri, Mohamad Zulkeflee Abdul Hamid, Azzmer Azzar Sayed Hitam, Sharifah Mariam Abdul Rahim, Mohd. Zulkhairi |
| author_sort | Sabri, Mohamad Zulkeflee |
| building | IIUM Repository |
| collection | Online Access |
| description | Aptamers are oligonucleotides and peptides with short and medium length around 15-100 nucleotides or amino acids and a molecule of interests due to its specific binding affinities to the vast array of target molecules such as ions, complex proteins and antigens up to cellular surface and cell organelles. Aptamers shows high potential of application in therapeutics and diagnostics. Aptamers are usually obtained through rigorous in-vitro screening procedures known as Systematic Evolution of Ligands by EXponential enrichment (SELEX). There are growing interests in the aptamer screening approach through computational methods such as using molecular docking and molecular modelling (MD) simulations. The approach had been increasingly popular due to minimal use of chemical and reagents, balanced with the reasonable computational costs. In-silico approaches were able to poke the details of aptamer-ligand interactions which is hard to elucidate experimentally. The authors review the successful works in screening and analysing aptamer-target complexes interactions and the effort to design the aptamers through computational simulations. The own personal experience of authors in designing a specific aptamer for Hepatitis B surface antigen through computational screening method was also discussed. In conclusion, the advancement of computational chemistry provides a promising future for the aptamers research. © 2019 Elsevier Ltd. |
| first_indexed | 2025-11-14T17:54:12Z |
| format | Proceeding Paper |
| id | iium-82331 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English English English |
| last_indexed | 2025-11-14T17:54:12Z |
| publishDate | 2019 |
| publisher | Elsevier Ltd. |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-823312020-08-20T02:04:37Z http://irep.iium.edu.my/82331/ In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry Sabri, Mohamad Zulkeflee Abdul Hamid, Azzmer Azzar Sayed Hitam, Sharifah Mariam Abdul Rahim, Mohd. Zulkhairi Q Science (General) QD Chemistry Aptamers are oligonucleotides and peptides with short and medium length around 15-100 nucleotides or amino acids and a molecule of interests due to its specific binding affinities to the vast array of target molecules such as ions, complex proteins and antigens up to cellular surface and cell organelles. Aptamers shows high potential of application in therapeutics and diagnostics. Aptamers are usually obtained through rigorous in-vitro screening procedures known as Systematic Evolution of Ligands by EXponential enrichment (SELEX). There are growing interests in the aptamer screening approach through computational methods such as using molecular docking and molecular modelling (MD) simulations. The approach had been increasingly popular due to minimal use of chemical and reagents, balanced with the reasonable computational costs. In-silico approaches were able to poke the details of aptamer-ligand interactions which is hard to elucidate experimentally. The authors review the successful works in screening and analysing aptamer-target complexes interactions and the effort to design the aptamers through computational simulations. The own personal experience of authors in designing a specific aptamer for Hepatitis B surface antigen through computational screening method was also discussed. In conclusion, the advancement of computational chemistry provides a promising future for the aptamers research. © 2019 Elsevier Ltd. Elsevier Ltd. 2019 Proceeding Paper PeerReviewed application/pdf en http://irep.iium.edu.my/82331/1/82331_In-Silico%20Selection%20of%20Aptamer.pdf application/pdf en http://irep.iium.edu.my/82331/2/82331_In-Silico%20Selection%20of%20Aptamer_SCOPUS.pdf application/pdf en http://irep.iium.edu.my/82331/3/82331_In-Silico%20Selection%20of%20Aptamer_WOS.pdf Sabri, Mohamad Zulkeflee and Abdul Hamid, Azzmer Azzar and Sayed Hitam, Sharifah Mariam and Abdul Rahim, Mohd. Zulkhairi (2019) In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry. In: 2018 International Conference on Chemical Sciences and Engineering: Advance and New Materials (ICCSE 2018), 7th-8th November 2018, Melaka. https://www.sciencedirect.com/science/article/pii/S2214785319338714 10.1016/j.matpr.2019.11.185 |
| spellingShingle | Q Science (General) QD Chemistry Sabri, Mohamad Zulkeflee Abdul Hamid, Azzmer Azzar Sayed Hitam, Sharifah Mariam Abdul Rahim, Mohd. Zulkhairi In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title | In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title_full | In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title_fullStr | In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title_full_unstemmed | In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title_short | In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| title_sort | in-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry |
| topic | Q Science (General) QD Chemistry |
| url | http://irep.iium.edu.my/82331/ http://irep.iium.edu.my/82331/ http://irep.iium.edu.my/82331/ http://irep.iium.edu.my/82331/1/82331_In-Silico%20Selection%20of%20Aptamer.pdf http://irep.iium.edu.my/82331/2/82331_In-Silico%20Selection%20of%20Aptamer_SCOPUS.pdf http://irep.iium.edu.my/82331/3/82331_In-Silico%20Selection%20of%20Aptamer_WOS.pdf |