Artificial intelligence (AI) tools are increasingly being applied in drug discovery. While some
protagonists point to vast opportunities potentially offered by such tools, others remain …

A current bottleneck in the development of proteolysis targeting chimeras (PROTACs) is the
empirical nature of linker length structure–activity relationships (SARs). A multidisciplinary …

Abstract The IUPHAR/BPS Guide to PHARMACOLOGY (GtoPdb, http://www.
guidetopharmacology. org) provides expert-curated molecular interactions between …

SHP2 (Src homology-2 domain-containing protein tyrosine phosphatase-2) is a non-
receptor protein tyrosine phosphatase that removes tyrosine phosphorylation. Functionally …

We carried out a systematic evaluation of target selectivity profiles across three recent large-
scale biochemical assays of kinase inhibitors and further compared these standardized …

Small datasets are ubiquitous in drug discovery as data generation is expensive and can be
restricted for ethical reasons (eg in vivo experiments). A widely applied technique in early …

There are two kinds of targeted drug delivery systems:(I) Active targeted drug delivery (smart
drug delivery) based on ligands affiliation to receptors,(II) Passive targeted drug delivery …

There is a growing public concern about the lack of reproducibility of experimental data
published in peer-reviewed scientific literature. Herein, we review the most recent alerts …

Target-based drug discovery is the dominant paradigm of drug discovery; however, a
comprehensive evaluation of its real-world efficiency is lacking. Here, a manual systematic …

Given the therapeutic and commercial success of small-molecule enzyme inhibitors, as
exemplified by kinase inhibitors in oncology, a major focus of current drug-discovery and …