Machine learning for target discovery in drug development

T Rodrigues, GJL Bernardes - Current opinion in chemical biology, 2020 - Elsevier
The discovery of macromolecular targets for bioactive agents is currently a bottleneck for the
informed design of chemical probes and drug leads. Typically, activity profiling against …

Temperature‐sensitive transient receptor potential vanilloid channels: structural insights into ligand‐dependent activation

L Zubcevic - British Journal of Pharmacology, 2022 - Wiley Online Library
Temperature‐sensitive transient receptor potential vanilloid ion channel subtypes 1–4
(thermoTRPV1–thermoTRPV4) play important roles in a wide range of physiological …

[HTML][HTML] plantMASST-Community-driven chemotaxonomic digitization of plants

PWP Gomes, H Mannochio-Russo, R Schmid, S Zuffa… - bioRxiv, 2024 - ncbi.nlm.nih.gov
Understanding the distribution of hundreds of thousands of plant metabolites across the
plant kingdom presents a challenge. To address this, we curated publicly available LC …