Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P26022
UPID:
PTX3_HUMAN
Alternative names:
Pentaxin-related protein PTX3; Tumor necrosis factor alpha-induced protein 5; Tumor necrosis factor-inducible gene 14 protein
Alternative UPACC:
P26022; B2R6T6; Q38M82
Background:
Pentraxin-related protein PTX3, also known as Tumor necrosis factor alpha-induced protein 5 and Tumor necrosis factor-inducible gene 14 protein, plays a crucial role in innate immunity. It is involved in pathogen resistance, inflammatory responses, self-component clearance, and female fertility.
Therapeutic significance:
Understanding the role of Pentraxin-related protein PTX3 could open doors to potential therapeutic strategies.