Use of artificial intelligence to enhance phenotypic drug discovery

S Malandraki-Miller, PR Riley - Drug Discovery Today, 2021 - Elsevier
Highlights•This review re-explores the comparison between phenotypic and target-based
drug discovery and outlines how machine learning (ML) can assist the former at the forefront …

Chemical regulation of the cGAS-STING pathway

Q Zhang, C Chen, B Xia, P Xu - Current Opinion in Chemical Biology, 2022 - Elsevier
Nucleic acids represent a major class of pathogen and damage signatures, recognized by a
variety of host sensors to initiate signaling cascades and immune responses, such as …

Discovery of a novel cGAMP competitive ligand of the inactive form of STING

T Siu, MD Altman, GA Baltus, M Childers… - ACS medicinal …, 2018 - ACS Publications
Drugging large protein pockets is a challenge due to the need for higher molecular weight
ligands, which generally possess undesirable physicochemical properties. In this …

Systematic chemogenetic library assembly

SM Canham, Y Wang, A Cornett, DS Auld… - Cell chemical …, 2020 - cell.com
Chemogenetic libraries, collections of well-defined chemical probes, provide tremendous
value to biomedical research but require substantial effort to ensure diversity as well as …

The untapped opportunity and challenge of immunometabolism: a new paradigm for drug discovery

C Mazumdar, EM Driggers, LA Turka - Cell Metabolism, 2020 - cell.com
Here, we explore the manipulation of immune cell metabolism as a strategy in target
discovery and drug development for immune-mediated diseases. Comparing exploitation of …

[HTML][HTML] Screening for new macrophage therapeutics

CB Rodell, PD Koch, R Weissleder - Theranostics, 2019 - ncbi.nlm.nih.gov
Myeloid derived macrophages play a key role in many human diseases, and their
therapeutic modulation via pharmacological means is receiving considerable attention. Of …

Discovery of novel Thieno [2, 3-d] imidazole derivatives as agonists of human STING for antitumor immunotherapy using systemic administration

J Niu, H Bai, Z Li, Y Gao, Y Zhang, X Wang… - European Journal of …, 2022 - Elsevier
The activation of stimulator of interferon genes (STING) signaling pathways plays an
important role in the innate immune response. Although several STING agonists have been …

From phenotypic hit to chemical probe: chemical biology approaches to elucidate small molecule action in complex biological systems

QTL Pasquer, IA Tsakoumagkos, S Hoogendoorn - Molecules, 2020 - mdpi.com
Biologically active small molecules have a central role in drug development, and as
chemical probes and tool compounds to perturb and elucidate biological processes. Small …

Macrophages mediated delivery of chlorin e6 and treatment of lung cancer by photodynamic reprogramming

TT Yu, XY Sang, N Han, XC Peng, QR Li, X Xu… - International …, 2021 - Elsevier
Photodynamic therapy (PDT) is an emerging anti-tumor strategy. Photosensitizer chlorin e6
(Ce6) can induce photodynamic effect to selectively damage lung cancer cells. In order to …

Interrupting cyclic dinucleotide-cGAS–STING axis with small molecules

HO Sintim, CG Mikek, M Wang, MA Sooreshjani - Medchemcomm, 2019 - pubs.rsc.org
The cyclic dinucleotide-cGAS–STING axis plays important roles in host immunity. Activation
of this signaling pathway, via cytosolic sensing of bacterial-derived c-di-GMP/c-di-AMP or …