Inhibition of tomato spotted wilt virus nucleocapsid protein using phytochemical lupenone as spraying agent: A cutting-edge computational approach

Abstract

About & backgroundTomato spotted wilt virus (TSWV) is one of the most harmful diseases affecting the growing and making of tomatoes (Solanum lycopersicum) worldwide. With so many pests and disease-causing organisms making it hard to grow crops, viruses can be easy to forget about as a threat. But viruses can cause damage that can't be fixed and significant crop losses if they aren't found and stopped quickly. The epidemiology of the diseases caused by TSWV remains poorly understood. It was not until 1993 that scientists could prove that TSWV replicated inside its vector. The vast host range of the TSWV and the existence of at least ten different species of thrips capable of spreading the virus make eliminating the primary inoculum sources problematic. Also, virulent thrips may endure the winter in the field. In Georgia, it is thought that tomato crops lose about $9 million yearly, and growers on the west coast have said that the virus damages up to 50% of their tomato plants. ResultsFinally, we performed virtual screening and found 10 phyto-compounds from Euphorbia segetalis and then accelerated to molecular re-docking. We surprisingly found that Lupenone is the most potent compound against nucleocapsid of tomato spotted wilt virus. We found a good docking score of Lupenone −8.99 kcal/mol with viral nucleocapsid protein. Hence, spraying Lupenone on tomato plants can actively prevent tomato spotted wilt virus and boost tomato yield by enhancing its drought resistance. Finally, Lupenone, a phyto-compound from Euphorbia segetalis, inhibits the active site of tomato spotted wilt virus nucleocapsid and prevents tomato plants from wilting.