ABSTRACT
108This chapter deals with the application of molecular topology (MT) for the prediction, selection, and design of new repellents and/or compounds active against diseases transmitted by mosquitoes. After a brief introduction regarding the current methods used in drug design protocol, MT basic concepts are defined, including various examples of topological indices calculation. In addition, a bibliographic review about the latest implementation of MT in the fight against these diseases is conducted, along with a practical example of prediction for the repellent activity against Anopheles albimanus and Aedes aegypti through a multitarget (mt) quantitative structure–activity relationship (QSAR) study.
