Synthesis and molecular docking of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives as anti-HIV-1 reverse transcriptase inhibitors

In this research work, a proficient method has been developed for the preparation of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives from 2-chloroquinoline-3-carbaldehyde derivatives and p-toluidine in ethanol as solvent and using catalytic amount of acetic acid under reflux conditions to obtain desired products in good yields. The identification of all the synthesized compounds was confirmed by melting point, FT-IR, 1H NMR, and 13C NMR. Also, in present work all the synthesized compounds were evaluated for their molecular docking as anti-HIV-1 reverse transcriptase inhibitors using GOLD 5.2. software. The result of molecular docking showed that all the compounds established ‘π–π’ interactions with side chain of amino acid.

کلیدواژه ها:

N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine ، Molecular docking ، p-toluidine ، 2-chloroquinoline-3-carbaldehyde ، anti-HIV ، vilsmeier-haack reagent