Simulation analysis and physiological and biochemical evaluation of Sophora flavescens aboveground against aphids using network pharmacology

• Published in: Pesticide biochemistry and physiology 2023-01, Vol.189, p.105308-105308, Article 105308
• Main Authors: Guo, Chunyan, Zhou, Baochang, Liu, Yibo, Niu, Hui, Lv, Lijuan, Li, Minhui
• Format: Article
• Language: English
• Subjects: Animals; Aphid enzymatic activity; Aphids; Humans; Molecular Docking Simulation; Molecular dynamics; Network Pharmacology; Reproducibility of Results; Sophora - chemistry; Sophora flavescens; Sophora flavescens Alt
• ISSN: 0048-3575; 1095-9939
• DOI: 10.1016/j.pestbp.2022.105308

Pests cause substantial damage to human environments; therefore, studying insecticidal mechanisms is crucial for improving pest control. However, the use of chemical pesticides can cause irreversible secondary damage. In this study, we used network pharmacology to investigate the effect of Sophora flavescens Alt., as a biological pest control agent, on glucose-6-phosphate 1-dehydrogenase, thymidylate synthase, and a translocation protein in aphids. The stability and reliability of target proteins was analyzed using molecular docking and molecular dynamic simulations. Enzyme activity assays validated the feasibility of network pharmacology to obtain actionable targets. We used interdisciplinary integration to study pest control and network pharmacology to identify how Sophora flavescens Alt. resists aphid attacks. The results show that the use of network pharmacology can increase the accuracy and specificity of our predictions for the molecules targeted by insecticides. This approach will facilitate improved, environmentally friendly pest control development in the future. [Display omitted] •We studied the resistance of the aboveground part of sophora flavescens to aphids.•Network pharmacology were introduced into the field of agriculture.•We have verified the feasibility of network pharmacology to assist agronomy.