Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors
Raltegravir was the first HIV-1 integrase inhibitor that gained FDA approval for use in the treatment of HIV-1 infection. Because of the emergence of IN inhibitor-resistant viral strains, there is a need to identify innovative second-generation IN inhibitors. Previously, we identified 2-thioxo-4-thi...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2010-06-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1420-3049/15/6/3958/ |
| _version_ | 1819121247635636224 |
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| author | Kavya Ramkumar Vladimir N. Yarovenko Alexandra S. Nikitina Igor V. Zavarzin Mikhail M. Krayushkin Leonid V. Kovalenko Adrian Esqueda Srinivas Odde Nouri Neamati |
| author_facet | Kavya Ramkumar Vladimir N. Yarovenko Alexandra S. Nikitina Igor V. Zavarzin Mikhail M. Krayushkin Leonid V. Kovalenko Adrian Esqueda Srinivas Odde Nouri Neamati |
| author_sort | Kavya Ramkumar |
| collection | DOAJ |
| description | Raltegravir was the first HIV-1 integrase inhibitor that gained FDA approval for use in the treatment of HIV-1 infection. Because of the emergence of IN inhibitor-resistant viral strains, there is a need to identify innovative second-generation IN inhibitors. Previously, we identified 2-thioxo-4-thiazolidinone (rhodanine)-containing compounds as IN inhibitors. Herein, we report the design, synthesis and docking studies of a series of novel rhodanine derivatives as IN inhibitors. All these compounds were further tested against human apurinic/apyrimidinic endonuclease 1 (APE1) to determine their selectivity. Two compounds showed significant cytotoxicity in a panel of human cancer cell lines. Taken together, our results show that rhodanines are a promising class of compounds for developing drugs with antiviral and anticancer properties. |
| first_indexed | 2024-12-22T06:33:32Z |
| format | Article |
| id | doaj.art-23cb1d8e6e93474580135bba273d1aab |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-22T06:33:32Z |
| publishDate | 2010-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-23cb1d8e6e93474580135bba273d1aab2022-12-21T18:35:38ZengMDPI AGMolecules1420-30492010-06-011563958399210.3390/molecules15063958Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase InhibitorsKavya RamkumarVladimir N. YarovenkoAlexandra S. NikitinaIgor V. ZavarzinMikhail M. KrayushkinLeonid V. KovalenkoAdrian EsquedaSrinivas OddeNouri NeamatiRaltegravir was the first HIV-1 integrase inhibitor that gained FDA approval for use in the treatment of HIV-1 infection. Because of the emergence of IN inhibitor-resistant viral strains, there is a need to identify innovative second-generation IN inhibitors. Previously, we identified 2-thioxo-4-thiazolidinone (rhodanine)-containing compounds as IN inhibitors. Herein, we report the design, synthesis and docking studies of a series of novel rhodanine derivatives as IN inhibitors. All these compounds were further tested against human apurinic/apyrimidinic endonuclease 1 (APE1) to determine their selectivity. Two compounds showed significant cytotoxicity in a panel of human cancer cell lines. Taken together, our results show that rhodanines are a promising class of compounds for developing drugs with antiviral and anticancer properties.http://www.mdpi.com/1420-3049/15/6/3958/rhodanineHIV-1integraseAPE12-thioxo-4-thiazolidinonedocking |
| spellingShingle | Kavya Ramkumar Vladimir N. Yarovenko Alexandra S. Nikitina Igor V. Zavarzin Mikhail M. Krayushkin Leonid V. Kovalenko Adrian Esqueda Srinivas Odde Nouri Neamati Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors Molecules rhodanine HIV-1 integrase APE1 2-thioxo-4-thiazolidinone docking |
| title | Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors |
| title_full | Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors |
| title_fullStr | Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors |
| title_full_unstemmed | Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors |
| title_short | Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors |
| title_sort | design synthesis and structure activity studies of rhodanine derivatives as hiv 1 integrase inhibitors |
| topic | rhodanine HIV-1 integrase APE1 2-thioxo-4-thiazolidinone docking |
| url | http://www.mdpi.com/1420-3049/15/6/3958/ |
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