Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

G protein–coupled receptors (GPCRs) constitute the largest family of membrane proteins in
the human genome and are important therapeutic targets. During the last decade, the …

Recently,'tangible'virtual libraries have made billions of molecules readily available.
Prioritizing these molecules for synthesis and testing demands computational approaches …

Cancer is considered one of the primary diseases that cause morbidity and mortality in
millions of people worldwide and due to its prevalence, there is undoubtedly an unmet need …

The concept of drug-likeness, established from the analyses of the physiochemical
properties or/and structural features of existing small organic drugs or/and drug candidates …

Virtual screening (VS) is a powerful technique for identifying hit molecules as starting points
for medicinal chemistry. The number of methods and softwares which use the ligand and …

The discovery of novel small-molecule antibacterial drugs has been stalled for many years.
The purpose of this review is to underscore and illustrate those scientific problems unique to …

High-throughput screening (HTS) has been postulated in several quarters to be a
contributory factor to the decline in productivity in the pharmaceutical industry. Moreover, it …

Macrolides are among the most widely prescribed broad spectrum antibacterials, particularly
for respiratory infections. It is now recognized that these drugs, in particular azithromycin …

Citations in CAS SciFinder to the rule-of-five (RO5) publication will exceed 1000 by year-end
2004. Trends in the RO5 literature explosion that can be discerned are the further definitions …