… Natural Product Activity and Species Source (NPASS) database (Zeng et al., Citation2018)
were screened against the selected targets in a computer-aided virtual screening approach. …

… to be active by the virtual screening were clustered through the Butina method [28] implemented
in … for antimalarial drug development, we have applied a QSAR-based virtual screening …

… Virtual screening methods have been showing success in predicting new leads with good …
inhibitors, maximising efficiency and reducing costs in the discovery of new antimalarial drugs. …

… Furthermore, a first topological approach to the finding of new antimalarial drugs was
developed by our research group in 1999 using a small database. This reference is relevant since …

… an overview of antimalarial drug discovery and the application of computational methods in
… the continued challenges and future perspectives in the field of antimalarial drug discovery. …

… In the present study, we have designed new leupeptin analogues and subjected to virtual
screening … can be synthesized and tested in vivo as future potent antimalarial drugs. Methods: …

… We use a polypharmacology approach to identify potential drugs that can be used for the …
approved drugs with a potential antimalarial activity using computational drug reprofiling. Our …

… Therefore, rational approaches such as virtual screening (VS) can help … VS is a computational
drug discovery approach that is … as efficient predictors to identify novel antimalarial agents. …

… Antimalarial drug discovery has been primarily focused on the development of … for anti-malarial
activity. Hence, in this work, we have carried out high throughput virtual screening (HTVS) …

… drug target for the investigation of antimalarial drugs. In this sense, structure-based virtual
screening … plants was screened by utilizing docking molecular, ADMET approaches, molecular …