Virtual screening (VS) has emerged in drug discovery as a powerful computational
approach to screen large libraries of small molecules for new hits with desired properties …

Medicinal chemists continue to be fascinated by chalcone derivatives because of their
simple chemistry, ease of hydrogen atom manipulation, straightforward synthesis, and a …

Human thioredoxin reductase (TrxR) is a selenoprotein with a central role in cellular redox
homeostasis, utilizing a highly reactive and solvent-exposed selenocysteine (Sec) residue in …

In this review, we present the potential use of the heterocyclic oxadiazole rings in the design
and synthesis of new drugs to treat parasitic infections. We intend to compare herein all the …

Medicinal chemistry projects involve some steps aiming to develop a new drug, such as the
analysis of biological targets related to a given disease, the discovery and the development …

Peptides comprise a versatile class of biomolecules that present a unique chemical space
with diverse physicochemical and structural properties. Some classes of peptides are able to …

Malaria is an infectious disease that affects over 216 million people worldwide, killing over
445,000 patients annually. Due to the constant emergence of parasitic resistance to the …

Schistosomiasis affects million people and its control is widely dependent on a single drug,
praziquantel. Computational chemistry has led to the development of new tools that predict …

The scientists, and the researchers around the globe generate tremendous amount of
information everyday; for instance, so far more than 74 million molecules are registered in …

Schistosomiasis is a debilitating neglected tropical disease, caused by flatworms of
Schistosoma genus. The treatment relies on a single drug, praziquantel (PZQ), making the …