Background Fragment-based approaches have now become an important component of the
drug discovery process. At the same time, pharmaceutical chemists are more often turning to …

Natural products and semi-synthetic compounds continue to be a significant source of drug
candidates for a broad range of diseases, including coronavirus disease 2019 (COVID-19) …

Natural compounds are promising leads in drug discovery due to their low toxicity and
synergistic effects existing in nature, providing efficient and low-cost therapeutic solutions …

Structural information on metabolites can be a considerable asset for enhancing and
streamlining the process of developing new drug candidates. Modern approaches that …

The ongoing COVID‐19 pandemic, and constant demand for new therapies in unmet clinical
needs, necessitates strategies to identify drug candidates for rapid clinical deployment. Over …

Repurposing of marketed drugs to find new indications has become an alternative to
circumvent the risk of traditional drug development by its productivity quality. Despite many …

Small molecule drugs target many core metabolic enzymes in humans and pathogens, often
mimicking endogenous ligands. The effects may be therapeutic or toxic, but are frequently …

Consideration of biomolecules in terms of their molecular building blocks provides valuable
new information regarding their synthesis, degradation and similarity. Here, we present the …

Drug development has been hampered by a high failure rate in clinical trials due to
suboptimal efficacy or safety issues that are not predicted by preclinical studies in model …

Fragment based screening (FBS) has emerged as a mainstream lead discovery strategy in
academia, biotechnology start-ups, and large pharma. As a prerequisite of FBS, a …