Trends in kinase drug discovery: targets, indications and inhibitor design

MM Attwood, D Fabbro, AV Sokolov, S Knapp… - Nature Reviews Drug …, 2021 - nature.com
The FDA approval of imatinib in 2001 was a breakthrough in molecularly targeted cancer
therapy and heralded the emergence of kinase inhibitors as a key drug class in the oncology …

A critical overview of computational approaches employed for COVID-19 drug discovery

EN Muratov, R Amaro, CH Andrade, N Brown… - Chemical Society …, 2021 - pubs.rsc.org
COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought
the most severe disruptions to societies and economies since the Great Depression …

Spatial transcriptomics of dorsal root ganglia identifies molecular signatures of human nociceptors

D Tavares-Ferreira, S Shiers, PR Ray… - Science translational …, 2022 - science.org
Nociceptors are specialized sensory neurons that detect damaging or potentially damaging
stimuli and are found in the dorsal root ganglia (DRG) and trigeminal ganglia. These …

Exploration of ultralarge compound collections for drug discovery

WA Warr, MC Nicklaus, CA Nicolaou… - Journal of Chemical …, 2022 - ACS Publications
Designing new medicines more cheaply and quickly is tightly linked to the quest of exploring
chemical space more widely and efficiently. Chemical space is monumentally large, but …

DrugCentral 2021 supports drug discovery and repositioning

S Avram, CG Bologa, J Holmes, G Bocci… - Nucleic acids …, 2021 - academic.oup.com
DrugCentral is a public resource (http://drugcentral. org) that serves the scientific community
by providing up-to-date drug information, as described in previous papers. The current …

Pharos 2023: an integrated resource for the understudied human proteome

KJ Kelleher, TK Sheils, SL Mathias, JJ Yang… - Nucleic acids …, 2023 - academic.oup.com
Abstract The Illuminating the Druggable Genome (IDG) project aims to improve our
understanding of understudied proteins and our ability to study them in the context of …

Cytoscape stringApp 2.0: analysis and visualization of heterogeneous biological networks

NT Doncheva, JH Morris, H Holze… - Journal of proteome …, 2022 - ACS Publications
Biological networks are often used to represent complex biological systems, which can
contain several types of entities. Analysis and visualization of such networks is supported by …

AlphaFold illuminates half of the dark human proteins

JL Binder, J Berendzen, AO Stevens, Y He… - Current Opinion in …, 2022 - Elsevier
We investigate the use of confidence scores to evaluate the accuracy of a given AlphaFold
(AF2) protein model for drug discovery. Prediction of accuracy is improved by not …

[HTML][HTML] Artificial intelligence in pharmaceutical sciences

M Lu, J Yin, Q Zhu, G Lin, M Mou, F Liu, Z Pan, N You… - Engineering, 2023 - Elsevier
Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Label-free profiling of up to 200 single-cell proteomes per day using a dual-column nanoflow liquid chromatography platform

KGI Webber, T Truong, SM Johnston… - Analytical …, 2022 - ACS Publications
Single-cell proteomics (SCP) has great potential to advance biomedical research and
personalized medicine. The sensitivity of such measurements increases with low-flow …