Combinatorial chemistry in drug discovery

R Liu, X Li, KS Lam - Current opinion in chemical biology, 2017 - Elsevier
Several combinatorial methods have been developed to create focused or diverse chemical
libraries with a wide range of linear or macrocyclic chemical molecules: peptides, non …

Evolution of Novartis' small molecule screening deck design

A Schuffenhauer, N Schneider… - Journal of medicinal …, 2020 - ACS Publications
This article summarizes the evolution of the screening deck at the Novartis Institutes for
BioMedical Research (NIBR). Historically, the screening deck was an assembly of all …

Automated screening for small organic ligands using DNA-encoded chemical libraries

W Decurtins, M Wichert, RM Franzini, F Buller… - Nature protocols, 2016 - nature.com
DNA-encoded chemical libraries (DECLs) are collections of organic compounds that are
individually linked to different oligonucleotides, serving as amplifiable identification …

[HTML][HTML] Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective

A Karawajczyk, F Giordanetto, J Benningshof… - Drug Discovery …, 2015 - Elsevier
Highlights•High-quality compound collections are a main determinant of drug discovery
success.•Generation of relevant collections is a significant challenge for any …

[HTML][HTML] Evolution of commercially available compounds for HTS

DM Volochnyuk, SV Ryabukhin, YS Moroz… - Drug Discovery …, 2019 - Elsevier
Highlights•A critical assessment of 16 million commercially available compounds.•A
comparison of vendors' offerings.•How the offerings have evolved to meet modern …

Changing the HTS paradigm: AI-driven iterative screening for hit finding

GHS Dreiman, M Bictash, PV Fish… - … the Science of Drug …, 2021 - journals.sagepub.com
Iterative screening is a process in which screening is done in batches, with each batch filled
by using machine learning to select the most promising compounds from the library based …

Trends in hit-to-lead optimization following DNA-encoded library screens

CA Reiher, DP Schuman, N Simmons… - ACS Medicinal …, 2021 - ACS Publications
DNA-encoded library (DEL) screens have emerged as a powerful hit-finding tool for a
number of biological targets. In this Innovations article, we review published hit-to-lead …

Integrated strategy for lead optimization based on fragment growing: the diversity-oriented-target-focused-synthesis approach

L Hoffer, YV Voitovich, B Raux, K Carrasco… - Journal of medicinal …, 2018 - ACS Publications
Over the past few decades, hit identification has been greatly facilitated by advances in high-
throughput and fragment-based screenings. One major hurdle remaining in drug discovery …

Understanding cytotoxicity and cytostaticity in a high-throughput screening collection

LH Mervin, Q Cao, IP Barrett, MA Firth… - ACS chemical …, 2016 - ACS Publications
While mechanisms of cytotoxicity and cytostaticity have been studied extensively from the
biological side, relatively little is currently understood regarding areas of chemical space …

Advancing automation in high-throughput screening: Modular unguarded systems enable adaptable drug discovery

CS Hansel, DL Plant, GA Holdgate, MJ Collier… - Drug Discovery …, 2022 - Elsevier
Challenged by ageing infrastructure and increasingly demanding screening cascades,
AstraZeneca High Throughput Screening department has developed advanced automation …