Synthesis and insecticidal activity in vitro and vivo of novel benzenesulfonyl derivatives based on potent target subunit H of V-ATPase.

Graphical abstract Highlights: • 74 benzenesulfonyl derivatives were designed and synthesized. • A5.7 and B5.7 showed promising insecticidal activities. • Isothermal Titration Calorimetry data supported the activity studies. Abstract Two lead compounds with benzenesulfonamide were found through virtual screening based on the 3D structure of the subunit H of V-ATPase in previous study. 74 benzenesulfonyl derivatives were synthesized and their insecticidal activities were evaluated. The derivatives with propargyl substituents exhibit excellent insecticidal activities against Mythimna separata Walker. The LD 50 values of compounds A5.7 (28.0 μg·g−1) and B5.7 (36.4 μg·g−1) were significantly less than that of Celangulin V (344.0 μg·g−1). Furthermore, Isothermal Titration Calorimetry (ITC) data indicate there is a strong binding affinity between A5.7 and V-ATPase Subunit H. These results demonstrate that it is a practical way to develop pesticides targeting at H subunit of V-ATPase. [ABSTRACT FROM AUTHOR]