Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors
Four ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina). The docking scores for the derivatives are -7.3 kcal/mol, -7.5 kcal/mol, -6.9 kcal/mol, and -7...
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| Format: | Article |
| Language: | English |
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Turkish Chemical Society
2019-06-01
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| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
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| Online Access: | https://dergipark.org.tr/jotcsa/issue/43285/478772 |
| _version_ | 1797924184471371776 |
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| author | Nevin Arslan |
| author_facet | Nevin Arslan |
| author_sort | Nevin Arslan |
| collection | DOAJ |
| description | Four ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina). The docking scores for the derivatives are -7.3 kcal/mol, -7.5 kcal/mol, -6.9 kcal/mol, and -7.2 kcal/mol, respectively, which are comparable with that for Raltegravir (-10.7 kcal/mol). The docking results provide a detailed evidence for the interactions of four chromene derivatives. The results may lead to the design and development of new drug candidates against AIDS |
| first_indexed | 2024-04-10T14:57:34Z |
| format | Article |
| id | doaj.art-5d0bd1be3b714be5bcfbe8b212d693ee |
| institution | Directory Open Access Journal |
| issn | 2149-0120 |
| language | English |
| last_indexed | 2024-04-10T14:57:34Z |
| publishDate | 2019-06-01 |
| publisher | Turkish Chemical Society |
| record_format | Article |
| series | Journal of the Turkish Chemical Society, Section A: Chemistry |
| spelling | doaj.art-5d0bd1be3b714be5bcfbe8b212d693ee2023-02-15T16:07:15ZengTurkish Chemical SocietyJournal of the Turkish Chemical Society, Section A: Chemistry2149-01202019-06-016213314210.18596/jotcsa.478772Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase InhibitorsNevin ArslanFour ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina). The docking scores for the derivatives are -7.3 kcal/mol, -7.5 kcal/mol, -6.9 kcal/mol, and -7.2 kcal/mol, respectively, which are comparable with that for Raltegravir (-10.7 kcal/mol). The docking results provide a detailed evidence for the interactions of four chromene derivatives. The results may lead to the design and development of new drug candidates against AIDShttps://dergipark.org.tr/jotcsa/issue/43285/478772molecular docking |
| spellingShingle | Nevin Arslan Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors Journal of the Turkish Chemical Society, Section A: Chemistry molecular docking |
| title | Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors |
| title_full | Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors |
| title_fullStr | Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors |
| title_full_unstemmed | Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors |
| title_short | Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors |
| title_sort | molecular docking study of four chromene derivatives as novel hiv 1 integrase inhibitors |
| topic | molecular docking |
| url | https://dergipark.org.tr/jotcsa/issue/43285/478772 |
| work_keys_str_mv | AT nevinarslan moleculardockingstudyoffourchromenederivativesasnovelhiv1integraseinhibitors |