Fragment linking strategies for structure-based drug design

A Bancet, C Raingeval, T Lomberget… - Journal of Medicinal …, 2020 - ACS Publications
Fragment-based drug discovery is a strategy widely used in both academia and
pharmaceutical companies to generate small-molecule protein inhibitors and drug …

Drug target miRNAs: chances and challenges

MF Schmidt - Trends in biotechnology, 2014 - cell.com
miRNAs, short ribonucleic acid gene regulators, are increasingly popular drug targets.
Traditionally 'undruggable'proteins can be targeted via their miRNA gene regulators …

Nonlinear least-squares data fitting in Excel spreadsheets

G Kemmer, S Keller - Nature protocols, 2010 - nature.com
We describe an intuitive and rapid procedure for analyzing experimental data by nonlinear
least-squares fitting (NLSF) in the most widely used spreadsheet program. Experimental …

The ways and means of fragment-based drug design

BC Doak, RS Norton, MJ Scanlon - Pharmacology & therapeutics, 2016 - Elsevier
Fragment-based drug design (FBDD) has emerged as a mainstream approach for the rapid
and efficient identification of building blocks that can be used to develop high-affinity ligands …

Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment‐Based Drug Design Facilitated by Dynamic Combinatorial …

M Mondal, N Radeva, H Fanlo‐Virgós… - Angewandte Chemie …, 2016 - Wiley Online Library
Fragment‐based drug design (FBDD) affords active compounds for biological targets. While
there are numerous reports on FBDD by fragment growing/optimization, fragment linking has …

Protein‐Templated Fragment Ligations—From Molecular Recognition to Drug Discovery

M Jaegle, EL Wong, C Tauber… - Angewandte Chemie …, 2017 - Wiley Online Library
Protein‐templated fragment ligation is a novel concept to support drug discovery and can
help to improve the efficacy of protein ligands. Protein‐templated fragment ligations are …

Mutual leveraging of proximity effects and click chemistry in chemical biology

R Dong, X Yang, B Wang, X Ji - Medicinal Research Reviews, 2023 - Wiley Online Library
Nature has the remarkable ability to realize reactions under physiological conditions that
normally would require high temperature and other forcing conditions. In doing so, often …

High‐Throughput Kinetic Analysis for Target‐Directed Covalent Ligand Discovery

GB Craven, DP Affron, CE Allen… - Angewandte Chemie …, 2018 - Wiley Online Library
Cysteine‐reactive small molecules are used as chemical probes of biological systems and
as medicines. Identifying high‐quality covalent ligands requires comprehensive kinetic …

In situ inhibitor synthesis and screening by fluorescence polarization: an efficient approach for accelerating drug discovery

Z Li, Y Wu, S Zhen, K Su, L Zhang, F Yang… - Angewandte …, 2022 - Wiley Online Library
Target‐directed dynamic combinatorial chemistry has emerged as a useful tool for hit
identification, but has not been widely used, in part due to challenges associated with …

A novel class of small-molecule caspase-3 inhibitors prepared by multicomponent reactions

Q Zhu, L Gao, Z Chen, S Zheng, H Shu, J Li… - European journal of …, 2012 - Elsevier
A series of tetra-and pentasubstituted polyfunctional dihydropyrroles 5 and 6 were
synthesized via practical multicomponent reactions (MCRs) for research on their structure …