Non-Kinase Off-Target Inhibitory Activities of Clinically-Relevant Kinase Inhibitors

NR Brauer, AL Kempen, D Hernandez… - European Journal of …, 2024 - Elsevier
Protein kinases are responsible for a myriad of cellular functions, such as cell cycle,
apoptosis, and proliferation. Because of this, kinases make excellent targets for therapeutics …

MolBiC: the cell-based landscape illustrating molecular bioactivities

Y Ge, M Yang, X Yu, Y Zhou, Y Zhang… - Nucleic Acids …, 2025 - academic.oup.com
The measurement of cell-based molecular bioactivity (CMB) is critical for almost every step
of drug development. With the booming application of AI in biomedicine, it is essential to …

Identification of potential NUDT5 inhibitors from marine bacterial natural compounds via molecular dynamics and free energy landscape analysis

A Dubey, AM Alanazi, R Bhardwaj, A Ragusa - Molecular Diversity, 2024 - Springer
Abstract NUDIX hydrolase 5 (NUDT5) is an enzyme involved in the hydrolysis of nucleoside
diphosphates linked to other moieties, such as ADP-ribose. This cofactor is vital in redox …