Recent advances in quantitative structure-activity relationship models of antimalarial drugs.

Probir Kumar OjhaVinay KumarJoyita RoyKunal Roy

Published in: Expert opinion on drug discovery (2021)

Many QSAR reports for antimalarial compounds are based on small number of data points. This review infers that most of the present work deals with analog-based QSAR approach with a limited applicability domain (a very few cases with wide domain) whereas novel target-based computational approach is reported in very few cases, which leads to huge voids of computational work based on novel antimalarial targets.

Keyphrases

structure activity relationship
plasmodium falciparum
molecular docking
molecular dynamics
high resolution
big data
emergency department
machine learning
drug induced