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Molecules 2010, 15(6), 3958-3992; doi:10.3390/molecules15063958
Article

Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors

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Received: 8 March 2010; in revised form: 13 May 2010 / Accepted: 15 May 2010 / Published: 1 June 2010
(This article belongs to the Special Issue Structure-Based Drug Design)
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Abstract: 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.
Keywords: rhodanine; HIV-1; integrase; APE1; 2-thioxo-4-thiazolidinone; docking rhodanine; HIV-1; integrase; APE1; 2-thioxo-4-thiazolidinone; docking
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Ramkumar, K.; Yarovenko, V.N.; Nikitina, A.S.; Zavarzin, I.V.; Krayushkin, M.M.; Kovalenko, L.V.; Esqueda, A.; Odde, S.; Neamati, N. Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors. Molecules 2010, 15, 3958-3992.

AMA Style

Ramkumar K, Yarovenko VN, Nikitina AS, Zavarzin IV, Krayushkin MM, Kovalenko LV, Esqueda A, Odde S, Neamati N. Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors. Molecules. 2010; 15(6):3958-3992.

Chicago/Turabian Style

Ramkumar, Kavya; Yarovenko, Vladimir N.; Nikitina, Alexandra S.; Zavarzin, Igor V.; Krayushkin, Mikhail M.; Kovalenko, Leonid V.; Esqueda, Adrian; Odde, Srinivas; Neamati, Nouri. 2010. "Design, Synthesis and Structure-activity Studies of Rhodanine Derivatives as HIV-1 Integrase Inhibitors." Molecules 15, no. 6: 3958-3992.


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