Design, Synthesis, and Anti-PVY Biological Activity of 1,3,5-Triazine Derivatives Containing Piperazine Structure

In this study, a commercial agent with antivirus activity and moroxydine hydrochloride were employed to perform a lead optimization. A series of 1,3,5-triazine derivatives with piperazine structures were devised and synthesized, and an evaluation of their anti-potato virus Y (PVY) activity revealed that several of the target compounds possessed potent anti-PVY activity. The synthesis of compound C35 was directed by a 3D-quantitative structure-activity relationship that used the com-pound's structural parameters. The assessment of the anti-PVY activity of compound C35 revealed that its curative, protective, and inactivation activities (53.3 +/- 2.5%, 56.9 +/- 1.5%, and 85.8 +/- 4.4%, respectively) were comparable to the positive control of ningnanmycin (49.1 +/- 2.4%, 50.7 +/- 4.1%, and 82.3 +/- 6.4%) and were superior to moroxydine hydrochloride (36.7 +/- 2.7%, 31.4 +/- 2.0%, and 57.1 +/- 1.8%). In addition, molecular docking demonstrated that C35 can form hydrogen bonds with glutamic acid at position 150 (GLU 150) of PVY CP, providing a partial theoretical basis for the antiviral activity of the target compounds.