Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P62328
UPID:
TYB4_HUMAN
Alternative names:
Fx
Alternative UPACC:
P62328; P01253; P01254; Q546P5; Q63576; Q9UE55
Background:
Thymosin beta-4, known as Fx, plays a crucial role in cytoskeleton organization by binding to and sequestering actin monomers, thus inhibiting actin polymerization. This action is pivotal for maintaining cellular structure and function.
Therapeutic significance:
Understanding the role of Thymosin beta-4 could open doors to potential therapeutic strategies. Its ability to inhibit bone marrow derived stem cell differentiation highlights its potential in regulating stem cell dynamics and therapies.