Combining pharmacophore models derived from DNA-encoded chemical libraries with structure-based exploration to predict Tankyrase 1 inhibitors

AL Montoya, M Glavatskikh, BJ Halverson… - European journal of …, 2023 - Elsevier
DNA-encoded chemical libraries (DECLs) interrogate the interactions of a target of interest
with vast numbers of molecules. DECLs hence provide abundant information about the …

Privileged heterocycles for DNA-encoded library design and hit-to-lead optimization

X Wen, X Wu, R Jin, X Lu - European Journal of Medicinal Chemistry, 2023 - Elsevier
It is well known that heterocyclic compounds play a key role in improving drug activity, target
selectivity, physicochemical properties as well as reducing toxicity. In this review, we …

A specific and covalent JNK‐1 ligand selected from an encoded self‐assembling chemical library

G Zimmermann, U Rieder, D Bajic… - … A European Journal, 2017 - Wiley Online Library
We describe the construction of a DNA‐encoded chemical library comprising 148 135
members, generated through the self‐assembly of two sub‐libraries, containing 265 and …

DNA-compatible diazo-transfer reaction in aqueous media suitable for DNA-encoded chemical library synthesis

A Gironda-Martínez, D Neri, F Samain… - Organic letters, 2019 - ACS Publications
DNA-encoded chemical libraries (DECLs) are increasingly employed in hit discovery toward
proteins of pharmaceutical interest. Protected amino acids are the most commonly used …

[HTML][HTML] Covalent chemical probes for protein kinases

RAM Serafim, L Haarer, JGB Pedreira… - Current Research in …, 2023 - Elsevier
Small-molecule chemical probes are crucial tools to study the function of unexplored
proteins in biological systems, thereby directly impacting preclinical target validation. Being …

Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries

P Gehrtz, S Marom, M Bührmann… - Journal of medicinal …, 2022 - ACS Publications
High-throughput nanomole-scale synthesis allows for late-stage functionalization (LSF) of
compounds in an efficient and economical manner. Here, we demonstrated that copper …

Recent Advances on the Selection Methods of DNA‐Encoded Libraries

Y Huang, X Li - ChemBioChem, 2021 - Wiley Online Library
DNA‐encoded libraries (DEL) have come of age and become a major technology platform
for ligand discovery in both academia and the pharmaceutical industry. Technological …

On-DNA Synthesis of Functionalized 4H-Pyran Scaffolds for Focused DNA-Encoded Chemical Libraries

Y Gao, Y Sun, G Zhao, G Zhang, Y Li, Y Li - Organic Letters, 2022 - ACS Publications
The functionalized 4 H-pyran scaffold has aroused synthetic attention because it is widely
found in many interesting pharmacologically relevant compounds. We here disclose its …

Development of on-DNA vinyl sulfone synthesis for DNA-encoded chemical libraries

Y Gao, Y Sun, X Fang, G Zhao, X Li, G Zhang… - Organic Chemistry …, 2022 - pubs.rsc.org
The DNA-encoded chemical library (DEL) technology is a novel drug discovery tool,
benefiting from its large number of compound collections with chemical space coverage …

Discovery and optimization of WDR5 inhibitors via Cascade Deoxyribonucleic acid-encoded Library selection approach

S Qin, L Feng, Q Zhao, Z Yan, X Lyu, K Li… - Journal of Medicinal …, 2024 - ACS Publications
The DNA-encoded library (DEL) is a powerful hit generation tool for chemical biology and
drug discovery; however, the optimization of DEL hits remained a daunting challenge for the …