Proteolysis-targeting chimeras (PROTACs) are an emerging drug modality that may offer
new opportunities to circumvent some of the limitations associated with traditional small …

Aliphatic three-and four-membered rings including cyclopropanes, cyclobutanes, oxetanes,
azetidines and bicyclo [1.1. 1] pentanes have been increasingly exploited in medicinal …

Introduction: Physiological pH and chemical pKa are two sides of the same coin in defining
the ionization of a drug in the human body. The Henderson-Hasselbalch equation and pH …

Many lead compounds fail to reach clinical trials despite being potent because of low
bioavailability attributed to their insufficient solubility making solubility a primary and crucial …

While many approaches to predict aqueous pKa values exist, the fast and accurate
prediction of non‐aqueous pKa values is still challenging. Based on the iBonD experimental …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

In recent decades, in silico absorption, distribution, metabolism, excretion (ADME), and
toxicity (T) modelling as a tool for rational drug design has received considerable attention …

When antibiotics are administered, orally or intravenously, they pass through different
organs and layers of tissue on their way to the site of infection; this can cause dilution and/or …

Caenorhabditis elegans has emerged as a major model in biomedical and environmental
toxicology. Numerous papers on toxicology and pharmacology in C. elegans have been …

DrugCentral is a drug information resource (http://drugcentral. org) open to the public since
2016 and previously described in the 2017 Nucleic Acids Research Database issue. Since …