Tetrazoles via multicomponent reactions

CG Neochoritis, T Zhao, A Domling - Chemical reviews, 2019 - ACS Publications
Tetrazole derivatives are a prime class of heterocycles, very important to medicinal
chemistry and drug design due to not only their bioisosterism to carboxylic acid and amide …

Next generation 3D pharmacophore modeling

D Schaller, D Šribar, T Noonan, L Deng… - Wiley …, 2020 - Wiley Online Library
Abstract 3D pharmacophore models are three‐dimensional ensembles of chemically
defined interactions of a ligand in its bioactive conformation. They represent an elegant way …

Structure of the complex of human programmed death 1, PD-1, and its ligand PD-L1

KM Zak, R Kitel, S Przetocka, P Golik, K Guzik… - Structure, 2015 - cell.com
Summary Targeting the PD-1/PD-L1 immunologic checkpoint with monoclonal antibodies
has recently provided breakthrough progress in the treatment of melanoma, non-small cell …

Pharmit: interactive exploration of chemical space

J Sunseri, DR Koes - Nucleic acids research, 2016 - academic.oup.com
Abstract Pharmit (http://pharmit. csb. pitt. edu) provides an online, interactive environment for
the virtual screening of large compound databases using pharmacophores, molecular …

Multicomponent reactions, union of MCRs and beyond

T Zarganes‐Tzitzikas, AL Chandgude… - The Chemical …, 2015 - Wiley Online Library
Multicomponent reactions (MCRs), which are located between one‐and two‐component
and polymerization reactions, provide a number of valuable conceptual and synthetic …

Oncogenic protein interfaces: small molecules, big challenges

TL Nero, CJ Morton, JK Holien, J Wielens… - Nature Reviews …, 2014 - nature.com
Historically, targeting protein–protein interactions with small molecules was not thought
possible because the corresponding interfaces were considered mostly flat and featureless …

Systematic targeting of protein–protein interactions

AE Modell, SL Blosser, PS Arora - Trends in pharmacological sciences, 2016 - cell.com
Over the past decade, protein–protein interactions (PPIs) have gone from being neglected
as 'undruggable'to being considered attractive targets for the development of therapeutics …

[HTML][HTML] Mutations at protein-protein interfaces: Small changes over big surfaces have large impacts on human health

HC Jubb, AP Pandurangan, MA Turner… - Progress in biophysics …, 2017 - Elsevier
Many essential biological processes including cell regulation and signalling are mediated
through the assembly of protein complexes. Changes to protein-protein interaction (PPI) …

Comprehensive analysis of loops at protein-protein interfaces for macrocycle design

J Gavenonis, BA Sheneman, TR Siegert… - Nature chemical …, 2014 - nature.com
Inhibiting protein-protein interactions (PPIs) with synthetic molecules remains a frontier of
chemical biology. Many PPIs have been successfully targeted by mimicking α-helices at …

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

C Sheng, G Dong, Z Miao, W Zhang… - Chemical Society …, 2015 - pubs.rsc.org
Targeting protein–protein interactions (PPIs) has emerged as a viable approach in modern
drug discovery. However, the identification of small molecules enabling us to effectively …