Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …

Drug development is one of the most significant processes in the pharmaceutical industry.
Various computational methods have dramatically reduced the time and cost of drug …

The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …

Type-II diabetes mellitus (T2DM) results from a combination of genetic and lifestyle factors,
and the prevalence of T2DM is increasing worldwide. Clinically, both α-glucosidase and α …

The concept of bioisosterism and the implementation of bioisosteric replacement is
fundamental to medicinal chemistry. The exploration of bioisosteres is often used to probe …

Background: Neurodegenerative disorders (NDs) are diverse group of disorders
characterized by escalating loss of neurons (structural and functional). The development of …

The discovery of bioactive molecules is an expensive and time-consuming process and new
strategies are continuously searched for in order to optimize this process. Virtual Screening …

Background: In the past decade, several antibodies directed against the PD-1/PD-L1
interaction have been approved. However, therapeutic antibodies also exhibit some …

Large contact surfaces of protein–protein interactions (PPIs) remain to be an ongoing issue
in the discovery and design of small molecule modulators. Peptides are intrinsically capable …

Background: The lengthy and expensive process of develo** a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …