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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H816
UPID:
DCR1B_HUMAN
Alternative names:
Beta-lactamase DCLRE1B; DNA cross-link repair 1B protein; SNM1 homolog B
Alternative UPACC:
Q9H816; Q9H9E5
Background:
5' exonuclease Apollo, also known as Beta-lactamase DCLRE1B, plays a pivotal role in telomere maintenance and protection. It ensures telomeres do not fuse by preventing non-homologous end-joining (NHEJ)-mediated repair and is crucial for telomeric loop formation. Additionally, it responds to DNA damage and possesses beta-lactamase activity.
Therapeutic significance:
Apollo's malfunction is linked to Dyskeratosis congenita, autosomal recessive, 8, characterized by bone marrow failure and telomere instability. Understanding Apollo's function could lead to novel treatments for telomere-related disorders, offering hope for patients with Dyskeratosis congenita and potentially other telomere instability syndromes.