Image-based profiling for drug discovery: due for a machine-learning upgrade?

SN Chandrasekaran, H Ceulemans, JD Boyd… - Nature Reviews Drug …, 2021 - nature.com
Image-based profiling is a maturing strategy by which the rich information present in
biological images is reduced to a multidimensional profile, a collection of extracted image …

Recent advances in the synthesis and reactivity of azetidines: strain-driven character of the four-membered heterocycle

H Mughal, M Szostak - Organic & Biomolecular Chemistry, 2021 - pubs.rsc.org
Azetidines represent one of the most important four-membered heterocycles used in organic
synthesis and medicinal chemistry. The reactivity of azetidines is driven by a considerable …

Natural product fragment combination to performance-diverse pseudo-natural products

M Grigalunas, A Burhop, S Zinken, A Pahl… - Nature …, 2021 - nature.com
Natural product structure and fragment-based compound development inspire pseudo-
natural product design through different combinations of a given natural product fragment …

[HTML][HTML] Recent advances in phenotypic drug discovery

DC Swinney, JA Lee - F1000Research, 2020 - ncbi.nlm.nih.gov
There is a great need for innovative new medicines to treat unmet medical needs. The
discovery and development of innovative new medicines is extremely difficult, costly, and …

Design, Synthesis, and Phenotypic Profiling of Pyrano‐Furo‐Pyridone Pseudo Natural Products

A Christoforow, J Wilke, A Binici, A Pahl… - Angewandte …, 2019 - Wiley Online Library
Natural products (NPs) inspire the design and synthesis of novel biologically relevant
chemical matter, for instance through biology‐oriented synthesis (BIOS). However, BIOS is …

DNA barcoding a complete matrix of stereoisomeric small molecules

CJ Gerry, MJ Wawer, PA Clemons… - Journal of the American …, 2019 - ACS Publications
It is challenging to incorporate stereochemical diversity and topographic complexity into
DNA-encoded libraries (DELs) because DEL syntheses cannot fully exploit the capabilities …

[HTML][HTML] Stereochemical diversity as a source of discovery in chemical biology

KA Scott, N Ropek, B Melillo, SL Schreiber… - Current Research in …, 2022 - Elsevier
Chirality is an inherent aspect of biology, and interactions between biomolecules are often
influenced by stereochemistry and topographic complexity. This has implications for how …

Morphological profiling of small molecules

S Ziegler, S Sievers, H Waldmann - Cell chemical biology, 2021 - cell.com
Profiling approaches such as gene expression or proteome profiling generate small-
molecule bioactivity profiles that describe a perturbed cellular state in a rather unbiased …

Four‐Component Strain‐Release‐Driven Synthesis of Functionalized Azetidines

JL Tyler, A Noble, VK Aggarwal - … Chemie International Edition, 2022 - Wiley Online Library
Despite the favorable properties that azetidine rings can engender on drug‐compounds,
methods for the diversity‐oriented synthesis of azetidine‐based structures are significantly …

Application of Cell Painting for chemical hazard evaluation in support of screening-level chemical assessments

J Nyffeler, C Willis, FR Harris, MJ Foster… - Toxicology and Applied …, 2023 - Elsevier
Abstract 'Cell Painting'is an imaging-based high-throughput phenotypic profiling (HTPP)
method in which cultured cells are fluorescently labeled to visualize subcellular structures …