Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers

[Display omitted] •Compound MM-1 is a promising APOBEC3G stabilizer of elusive mechanism of action.•Comprehensive in silico study revealed their potential to interrupt Vif/Elongin C binding.•The prediction was validated through synthesis and biochemical in vitro assay of MM-1.•MM-1 proved an explici...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2020-04, Vol.28 (8), p.115409-115409, Article 115409
Hauptverfasser:	Radwan, Mohamed O., Takaya, Daisuke, Koga, Ryoko, Iwamaru, Kana, Tateishi, Hiroshi, Ali, Taha F.S., Takaori-Kondo, Akifumi, Otsuka, Masami, Honma, Teruki, Fujita, Mikako
Format:	Artikel
Sprache:	eng
Schlagworte:	Anti-HIV Agents - chemical synthesis Anti-HIV Agents - chemistry Anti-HIV Agents - pharmacology APOBEC-3G Deaminase - genetics APOBEC-3G Deaminase - metabolism APOBEC3G Benzimidazoles - chemistry Benzimidazoles - pharmacology Drug Design Gene Expression Regulation - drug effects HEK293 Cells HIV-1 - metabolism HIV-1 Vif Homology models Humans Molecular docking Molecular Docking Simulation Molecular Structure vif Gene Products, Human Immunodeficiency Virus - genetics vif Gene Products, Human Immunodeficiency Virus - metabolism
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