Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor
The present study aimed to characterize and investigate 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one (22) as a novel selective COX-2 inhibitor. The data collected from the single X-ray crystallographic analysis and in silico study provide important insights on the molecular...
| Main Authors: | , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2015
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/73535/ http://irep.iium.edu.my/73535/1/Kamal%20Rullah%204.pdf |
| _version_ | 1848787814442860544 |
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| author | Rullah, Kamal Mohd Aluwi, Mohd Fadhlizil Fasihi M.Yamin, Bohari Baharuddin, Mohd Syukri Ismail, Nor Hadiani YudaTeruna, Hilwan Abbas Bukhari, Syed Nasir Jantan, Ibrahim Jalil, Juriyati Husain, Khairana Lam, Kok Wai |
| author_facet | Rullah, Kamal Mohd Aluwi, Mohd Fadhlizil Fasihi M.Yamin, Bohari Baharuddin, Mohd Syukri Ismail, Nor Hadiani YudaTeruna, Hilwan Abbas Bukhari, Syed Nasir Jantan, Ibrahim Jalil, Juriyati Husain, Khairana Lam, Kok Wai |
| author_sort | Rullah, Kamal |
| building | IIUM Repository |
| collection | Online Access |
| description | The present study aimed to characterize and investigate 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one (22) as a novel selective COX-2 inhibitor. The data collected from the single X-ray crystallographic analysis and in silico study provide important insights on the molecular conformation and the binding interactions that are responsible for the COX-2 selectivity. |
| first_indexed | 2025-11-14T17:30:55Z |
| format | Article |
| id | iium-73535 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T17:30:55Z |
| publishDate | 2015 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-735352019-08-07T03:18:28Z http://irep.iium.edu.my/73535/ Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor Rullah, Kamal Mohd Aluwi, Mohd Fadhlizil Fasihi M.Yamin, Bohari Baharuddin, Mohd Syukri Ismail, Nor Hadiani YudaTeruna, Hilwan Abbas Bukhari, Syed Nasir Jantan, Ibrahim Jalil, Juriyati Husain, Khairana Lam, Kok Wai RS403 Materia Medica-Pharmaceutical Chemistry The present study aimed to characterize and investigate 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one (22) as a novel selective COX-2 inhibitor. The data collected from the single X-ray crystallographic analysis and in silico study provide important insights on the molecular conformation and the binding interactions that are responsible for the COX-2 selectivity. Elsevier 2015-02-05 Article PeerReviewed application/pdf en http://irep.iium.edu.my/73535/1/Kamal%20Rullah%204.pdf Rullah, Kamal and Mohd Aluwi, Mohd Fadhlizil Fasihi and M.Yamin, Bohari and Baharuddin, Mohd Syukri and Ismail, Nor Hadiani and YudaTeruna, Hilwan and Abbas Bukhari, Syed Nasir and Jantan, Ibrahim and Jalil, Juriyati and Husain, Khairana and Lam, Kok Wai (2015) Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor. Journal of Molecular Structure, 1081. pp. 51-61. ISSN 0022-2860 https://www.sciencedirect.com/science/article/abs/pii/S0022286014010059 10.1016/j.molstruc.2014.10.004 |
| spellingShingle | RS403 Materia Medica-Pharmaceutical Chemistry Rullah, Kamal Mohd Aluwi, Mohd Fadhlizil Fasihi M.Yamin, Bohari Baharuddin, Mohd Syukri Ismail, Nor Hadiani YudaTeruna, Hilwan Abbas Bukhari, Syed Nasir Jantan, Ibrahim Jalil, Juriyati Husain, Khairana Lam, Kok Wai Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title | Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title_full | Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title_fullStr | Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title_full_unstemmed | Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title_short | Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor |
| title_sort | molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4h-chromen-4-one as a novel selective cox-2 inhibitor |
| topic | RS403 Materia Medica-Pharmaceutical Chemistry |
| url | http://irep.iium.edu.my/73535/ http://irep.iium.edu.my/73535/ http://irep.iium.edu.my/73535/ http://irep.iium.edu.my/73535/1/Kamal%20Rullah%204.pdf |