It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Most antimalarials are based on basic N-heterocycles and possess amine functionalities.
Despite this, the role of basic nitrogen (BaN) in antimalarial drug design has not been …

Virtual compound libraries are increasingly being used in computer-assisted drug discovery
applications and have led to numerous successful cases. This paper aims to examine the …

Antibody-based biotherapeutics have emerged as a successful class of pharmaceuticals
despite significant challenges and risks to their discovery and development. This review …

Chemoinformatics involves integrating the principles of physical chemistry with computer-
based and information science methodologies, commonly referred to as “in silico …

Background Colorectal cancer (CRC) is a worldwide cancer with rising annual incidence.
New medications for patients with CRC are still needed. Recently, fluorescent chemical …

Highlights•Identifying good-quality start points is essential for small-molecule drug
discovery.•There are an increasing number of challenging targets entering drug discovery …

Although the literature contains numerous examples of successful virtual screening
campaigns, the field continues to evolve and deal with new challenges. In this special issue …

There is an urgent need to identify new therapies that prevent SARS-CoV-2 infection and
improve the outcome of COVID-19 patients. This pandemic has thus spurred intensive …

Considerable effort has been made to achieve less frequent dosing in the development of
DPP-4 inhibitors. Enthusiasm for long-acting DPP-4 inhibitors is based on the promise that …