Prioritizing molecules for synthesis is a key role of computational methods within medicinal
chemistry. Multiple tools exist for ranking molecules, from the cheap and popular molecular …

Cytokinin receptors play a key role in cytokinin-dependent processes regulating plant
growth, development, and adaptation; therefore, the functional properties of these receptors …

The transient receptor potential cation channel subfamily V member 1 (TRPV1) or vanilloid
receptor 1 is a nonselective cation channel that is involved in the detection and transduction …

Molecular docking remains an important tool for structure-based screening to find new
ligands and chemical probes. As docking ambitions grow to include new scoring function …

Recent efforts to synthetically expand drug‐like chemical libraries have led to the
emergence of unprecedently large virtual databases. This surge of make‐on‐demand …

The development of new COX-2 inhibitors with analgesic and anti-inflammatory efficacy as
well as minimal gastrointestinal, renal and cardiovascular toxicity, is of vital importance to …

In the past decade or so there has been a dramatic increase in the number of computational
applications and tools that have been developed to enable medicinal chemists to prosecute …

Background Atherosclerosis is the primary cause of cardiovascular diseases (CVDs),
contributing to more than 33% of the annual deaths globally. Westernized dietary patterns, a …

ASCT2 (SLC1A5) is a sodium-dependent neutral amino acid transporter that controls amino
acid homeostasis in peripheral tissues. In cancer, ASCT2 is up-regulated where it modulates …

Covering: up to 2014 In silico approaches have been widely recognised to be useful for drug
discovery. Here, we consider the significance of available databases of medicinal plants and …