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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O75031
UPID:
HSF2B_HUMAN
Alternative names:
-
Alternative UPACC:
O75031; B4DX36
Background:
Heat shock factor 2-binding protein plays a pivotal role in meiotic recombination, essential for spermatogenesis and male fertility. It facilitates the repair of meiotic double-strand breaks, crucial for homologous synapsis and crossover formation. This protein also modulates the localization of recombinases DMC1:RAD51, aiding in the progression past metaphase I.
Therapeutic significance:
Linked to Premature ovarian failure 19, a condition characterized by the early cessation of ovarian function, Heat shock factor 2-binding protein's genetic variants offer a direct pathway to understanding and potentially treating this disorder. Its role in meiotic recombination and double-strand break repair highlights its therapeutic significance.