Design, cross-docking and ONIOM studies of potent antiviral HIV-1 nonnucleoside reverse transcriptase inhibitors
Suwicha Patnin,
Arthit Makarasen,
Pongsit Vijitphan
et al.
Abstract:In the present study, we aimed to develop and discover anti-HIV-1 reverse transcriptase (RT) using quinoline as a core structure. Quinoline derivatives were designed using a molecular hybridization approach through the fusion of the pharmacophores present in the structures of HIV-1 RT drugs, namely, nevirapine, efavirenz, etravirine, talviraline, and rilpivirine. Quinoline derivatives were developed into two compounds, namely,4-(2′,6′-dimethyl-4′-cyanophenoxy)-6-(4′′-cyanophenyl)-aminoquinoline (1) and 4-(2′,6… Show more
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