Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96A99
UPID:
PTX4_HUMAN
Alternative names:
-
Alternative UPACC:
Q96A99
Background:
Pentraxin-4, identified by its unique accession number Q96A99, represents a novel entity within the pentraxin family of proteins, known for their role in the immune response and inflammation. Unlike its well-characterized relatives, such as C-reactive protein, the specific functions of Pentraxin-4 remain to be fully elucidated. Its unique structure and evolutionary conservation suggest a significant biological role.
Therapeutic significance:
Understanding the role of Pentraxin-4 could open doors to potential therapeutic strategies. Its association with the immune system and inflammatory processes hints at its importance in disease mechanisms, offering a promising target for drug discovery efforts aimed at modulating immune responses.