Malaria, dengue fever, filariasis, and viral encephalitis are all mosquito-borne illnesses that cause a great number of health issues across the world. Mosquitoes inject saliva into their hosts' skin to make obtaining a blood meal simpler by inhibiting hemostasis. D7 proteins are abundant in mosquito saliva and act as biogenic amine and eicosanoids scavengers. The chemical interactions of possible Smilax zeylanica compounds with mosquito-targeted D7 salivary protein and odorant binding protein were investigated. From petroleum ether, acetone, and ethanolic solvents, a total of 28 chemical components were discovered in the GC-MS study of S . zeylanica . Different solvents were also tested for their adulticidal and repellent properties against Anopheles stephensi, Aedes aegypti , and Culex quinquefasciatus . Among the three solvents, the ethanolic extract exhibited the highest toxic level against the three mosquito species. LC 50 of P. ether 284.92ppm, 311.97ppm and 332.76ppm; LC 50 of acetone 241.97ppm, 271.61ppm and 304.99ppm; and LC 50 of ethanol 217.12ppm, 241.89ppm and 266.90ppm, against the three mosquito species, respectively. In repellent activity from all the solvents, complete protection was observed for up to 150 minutes against the three mosquito species. A total of 22 compounds were taken for docking studies. The compounds were subjected to docking against the three mosquitoes' D7protein. Overall, this study highlights the importance of a computational approach based on control of mosquito vectors and potential activity of biopesticides.