Researchers analyzed the thermodynamics of doxepin binding to the histamine H1 receptor. The findings highlight the ...
In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...
G-protein-coupled receptors (GPCRs) are one of the largest families of cell surface proteins in the human body that recognize hormones, neurotransmitters, and drugs. These receptors regulate a wide ...
Researchers used both ligand-based drug design (LBDD) and structure-based drug design (SBDD) strategies within the Chemistry42 generative chemistry engine for molecular generation. Building on the ...
LIGAND-AI is a flagship project of the Target 2035 initiative, funded by the Innovative Health Initiative, a public-private partnership (PPP) between the European Union and the European life science ...
Antimicrobial resistance (AMR) is diminishing the effectiveness of existing antibiotics and intensifying the need for discovery pipelines that are both ...
The use of artificial intelligence (AI) has been increasing in scientific research and clinical applications. From determining best treatment options for cancer patients, to identifying novel ...
This new article publication from Acta Pharmaceutica Sinica B, discusses how structure-guided design of picomolar-level macrocyclic TRPC5 channel inhibitors with antidepressant activity.
Understanding the thermodynamic basis of ligand recognition by G-protein-coupled receptors (GPCRs), especially in terms of ...
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