Computational approaches streamlining drug discovery

AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

Advances in covalent drug discovery

L Boike, NJ Henning, DK Nomura - Nature Reviews Drug Discovery, 2022 - nature.com
Covalent drugs have been used to treat diseases for more than a century, but tools that
facilitate the rational design of covalent drugs have emerged more recently. The purposeful …

The emerging role of mass spectrometry-based proteomics in drug discovery

F Meissner, J Geddes-McAlister, M Mann… - Nature Reviews Drug …, 2022 - nature.com
Proteins are the main targets of most drugs; however, system-wide methods to monitor
protein activity and function are still underused in drug discovery. Novel biochemical …

Itaconate and itaconate derivatives target JAK1 to suppress alternative activation of macrophages

MC Runtsch, S Angiari, A Hooftman, R Wadhwa… - Cell metabolism, 2022 - cell.com
The Krebs cycle-derived metabolite itaconate and its derivatives suppress the inflammatory
response in pro-inflammatory" M1" macrophages. However, alternatively activated" M2" …

Systematic identification of anticancer drug targets reveals a nucleus-to-mitochondria ROS-sensing pathway

J Zhang, CM Simpson, J Berner, HB Chong, J Fang… - Cell, 2023 - cell.com
Multiple anticancer drugs have been proposed to cause cell death, in part, by increasing the
steady-state levels of cellular reactive oxygen species (ROS). However, for most of these …

Reuterin in the healthy gut microbiome suppresses colorectal cancer growth through altering redox balance

HN Bell, RJ Rebernick, J Goyert, R Singhal, M Kuljanin… - Cancer cell, 2022 - cell.com
Microbial dysbiosis is a colorectal cancer (CRC) hallmark and contributes to inflammation,
tumor growth, and therapy response. Gut microbes signal via metabolites, but how the …

A proteome-wide atlas of drug mechanism of action

DC Mitchell, M Kuljanin, J Li, JG Van Vranken… - Nature …, 2023 - nature.com
Defining the cellular response to pharmacological agents is critical for understanding the
mechanism of action of small molecule perturbagens. Here, we developed a 96-well-plate …

An introduction to mass spectrometry-based proteomics

SR Shuken - Journal of Proteome Research, 2023 - ACS Publications
Mass spectrometry is unmatched in its versatility for studying practically any aspect of the
proteome. Because the foundations of mass spectrometry-based proteomics are complex …

Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes

Y Chen, GB Craven, RA Kamber, A Cuesta… - Nature Chemistry, 2023 - nature.com
Advances in chemoproteomic technology have revealed covalent interactions between
small molecules and protein nucleophiles, primarily cysteine, on a proteome-wide scale …

[HTML][HTML] Expanding PROTACtable genome universe of E3 ligases

Y Liu, J Yang, T Wang, M Luo, Y Chen, C Chen… - Nature …, 2023 - nature.com
Proteolysis-targeting chimera (PROTAC) and other targeted protein degradation (TPD)
molecules that induce degradation by the ubiquitin-proteasome system (UPS) offer new …