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Design, synthesis and biological evaluation on N- heteroaryl compounds as probable NNRTIs against laboratory adapted strains and the primary isolates of HIV-1
BMC Infectious Diseases volume 14, Article number: E15 (2014)
The emergence of drug resistant HIV strains and suitability of NNRTIs as potent anti-HIV molecules used in HAART did attract our attention towards developing NNRTIs. We, therefore, focused on developing some new NNRTIs utilizing benzimidazole and pyrimidine moieties to match the hydrophobic nature of the allosteric pocket in HIV-RT.
Compounds designed on the basis of extensive computational studies, were finally synthesized through facile synthetic route and characterized using various chromatographic and spectral techniques. All synthesized molecules have been screened against HIV-1 using TZM bl assay and laboratory adapted strains HIV-1 IIIB (X4, subtype B), HIV-1 Ada5 (R5, Subtype B) and the primary isolates HIV-1UG070 (X4, Subtype D).
Cell based assay showed that majority of the compounds were active at micro molar concentrations (1.39-17.39 µM) and the SI value ranged between 10.77-17.39 against lab adapted strains and 5.8–13.91 against primary isolates. The studies on structure–activity relationship were also consistent with the experimental data.
In view of the results obtained, these compounds may be developed as potent inhibitors of HIV-1 replication with suitable structural/pharmacophore modifications.
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Singh, A., Yadav, M., Srivastava, R. et al. Design, synthesis and biological evaluation on N- heteroaryl compounds as probable NNRTIs against laboratory adapted strains and the primary isolates of HIV-1. BMC Infect Dis 14, E15 (2014). https://doi.org/10.1186/1471-2334-14-S3-E15
- Cell Base Assay
- Primary Isolate
- Spectral Technique