Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
We use our state-of-the-art dedicated workflow for designing focused 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
P02675
UPID:
FIBB_HUMAN
Alternative names:
-
Alternative UPACC:
P02675; A0JLR9; B2R7G3; Q32Q65; Q3KPF2
Background:
The Fibrinogen beta chain, encoded by the gene with accession number P02675, plays a pivotal role in hemostasis by being cleaved by thrombin to form a fibrin matrix, crucial for blood clotting and wound repair. It also has roles in pregnancy, infection response, and platelet aggregation.
Therapeutic significance:
Diseases such as Congenital afibrinogenemia and Dysfibrinogenemia, congenital, are directly linked to mutations in the Fibrinogen beta chain gene, highlighting its critical role in bleeding disorders. Understanding the Fibrinogen beta chain's function could lead to novel treatments for these conditions.