Recent advances in bioaffinity strategies for preclinical and clinical drug discovery: Screening natural products, small molecules and antibodies

H Jin, D Cui, Y Fan, G Li, Z Zhong, Y Wang - Drug Discovery Today, 2024 - Elsevier
Bioaffinity drug screening strategies have gained popularity in preclinical and clinical drug
discovery for natural products, small molecules and antibodies owing to their superior …

Challenges and Prospects of DNA-Encoded Library Data Interpretation

M Wichert, L Guasch, RM Franzini - Chemical Reviews, 2024 - ACS Publications
DNA-encoded library (DEL) technology is a powerful platform for the efficient identification of
novel chemical matter in the early drug discovery process enabled by parallel screening of …

Agonist Discovery for Membrane Proteins on Live Cells by Using DNA-encoded Libraries

Y Huang, R Hou, FS Lam, Y Jia, Y Zhou… - Journal of the …, 2024 - ACS Publications
Identifying biologically active ligands for membrane proteins is an important task in chemical
biology. We report an approach to directly identify small molecule agonists against …

Compositional Deep Probabilistic Models of DNA-Encoded Libraries

B Chen, MM Sultan, T Karaletsos - Journal of Chemical …, 2024 - ACS Publications
DNA-encoded library (DEL) has proven to be a powerful tool that utilizes combinatorially
constructed small molecules to facilitate highly efficient screening experiments. These …

Building Block-Based Binding Predictions for DNA-Encoded Libraries

C Zhang, M Pitman, A Dixit, S Leelananda… - Journal of Chemical …, 2023 - ACS Publications
DNA-encoded libraries (DELs) provide the means to make and screen millions of diverse
compounds against a target of interest in a single experiment. However, despite producing …

Machine-learning-based data analysis method for cell-based selection of DNA-encoded libraries

R Hou, C Xie, Y Gui, G Li, X Li - ACS omega, 2023 - ACS Publications
DNA-encoded library (DEL) is a powerful ligand discovery technology that has been widely
adopted in the pharmaceutical industry. DEL selections are typically performed with a …

Bisphenol S exposure promotes stemness of triple-negative breast cancer cells via regulating Gli1-mediated Sonic hedgehog pathway

K Yi, W Chen, X Zhou, C Xie, C Zhong, J Zhu - Environmental Research, 2025 - Elsevier
Bisphenol S (BPS), one of the most common alternatives for bisphenol A (BPA), has been
implied to increase the risk of breast cancer. Triple-negative breast cancer (TNBC) is a …

Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries?

LM Mihalovits, TV Szalai, D Bajusz… - Journal of Chemical …, 2024 - ACS Publications
The concept of DNA-encoded libraries (DELs) enables the experimental screening of
billions of compounds simultaneously, offering an unprecedented boost in the coverage of …

Highly Selective Novel Heme Oxygenase-1 Hits Found by DNA-Encoded Library Machine Learning beyond the DEL Chemical Space

S Han, X Guo, M Wang, H Liu, Y Song… - ACS Medicinal …, 2024 - ACS Publications
DNA-encoded library (DEL) technology, especially when combined with machine learning
(ML), is a powerful method to discover novel inhibitors. DEL-ML can expand a larger …

DEL+ ML paradigm for actionable hit discovery–a cross DEL and cross ML model assessment.

S Iqbal, W Jiang, E Hansen, T Aristotelous, S Liu… - 2024 - chemrxiv.org
DNA-Encoded Library (DEL) technology allows the screening of millions, or even billions, of
encoded compounds in a pooled fashion which is faster and cheaper than traditional …