Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

The Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) approach has been
widely applied as an efficient and reliable free energy simulation method to model molecular …

New antimalarial targets are the prime need for the discovery of potent drug candidates. In
order to fulfill this objective, antimalarial drug researches are focusing on promising targets …

Highlights•The antimalarial pipeline has been enriched with new molecules and
targets.•The antimalarial target compound and product profiles have been redefined.•In …

Abstract Computer-Aided Drug Design topic deals with the application of computer
hardware and software to provide solutions at every stage of drug discovery. QSAR methods …

Malaria continues to be a global health threat, with approximately 247 million cases
worldwide. Despite therapeutic interventions being available, patient compliance is a …

Guanylthiourea (GTU) has been identified as an important antifolate antimalarial
pharmacophore unit, whereas, 4-amino quinolones are already known for antimalarial …

The efficacy of most marketed antimalarial drugs has been compromised by the
development of parasite resistance, underscoring an urgent need to find new drugs with …

Aims This first‐in‐human clinical trial of P218, a novel dihydrofolate reductase inhibitor
antimalarial candidate, assessed safety, tolerability, pharmacokinetics and food effects in …

Malaria still persists as one of the deadliest infectious disease having a huge morbidity and
mortality affecting the higher population of the world. Structure and ligand-based drug …