The importance of in-silico studies in drug discovery
The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quan...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Elsevier
2024
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| Online Access: | http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf |
| _version_ | 1796996320388448256 |
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| author | Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi |
| author_facet | Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi |
| author_sort | Roney, Miah |
| collection | UMP |
| description | The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quantitative structure–activity connections, machine learning, data mining, network analysis tools, and computer-based data analysis tools are examples of in-silico techniques. These techniques are mostly applied in conjunction with the production of in vitro data to build models that facilitate the identification and refinement of new compounds by providing insight into their features related to absorption, distribution, metabolism, and excretion. |
| first_indexed | 2024-04-09T03:52:36Z |
| format | Article |
| id | UMPir40897 |
| institution | Universiti Malaysia Pahang |
| language | English |
| last_indexed | 2024-04-09T03:52:36Z |
| publishDate | 2024 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | UMPir408972024-04-04T04:26:36Z http://umpir.ump.edu.my/id/eprint/40897/ The importance of in-silico studies in drug discovery Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi Q Science (General) RS Pharmacy and materia medica TP Chemical technology The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quantitative structure–activity connections, machine learning, data mining, network analysis tools, and computer-based data analysis tools are examples of in-silico techniques. These techniques are mostly applied in conjunction with the production of in vitro data to build models that facilitate the identification and refinement of new compounds by providing insight into their features related to absorption, distribution, metabolism, and excretion. Elsevier 2024-02 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf Roney, Miah and Mohd Fadhlizil Fasihi, Mohd Aluwi (2024) The importance of in-silico studies in drug discovery. Intelligent Pharmacy. pp. 1-2. ISSN 2949-866X. (In Press / Online First) (In Press / Online First) https://doi.org/10.1016/j.ipha.2024.01.010 https://doi.org/10.1016/j.ipha.2024.01.010 |
| spellingShingle | Q Science (General) RS Pharmacy and materia medica TP Chemical technology Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi The importance of in-silico studies in drug discovery |
| title | The importance of in-silico studies in drug discovery |
| title_full | The importance of in-silico studies in drug discovery |
| title_fullStr | The importance of in-silico studies in drug discovery |
| title_full_unstemmed | The importance of in-silico studies in drug discovery |
| title_short | The importance of in-silico studies in drug discovery |
| title_sort | importance of in silico studies in drug discovery |
| topic | Q Science (General) RS Pharmacy and materia medica TP Chemical technology |
| url | http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf |
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