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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UJV9
UPID:
DDX41_HUMAN
Alternative names:
DEAD box protein 41; DEAD box protein abstrakt homolog
Alternative UPACC:
Q9UJV9; B2RDC8; Q96BK6; Q96K05; Q9NT96; Q9NW04
Background:
The Probable ATP-dependent RNA helicase DDX41, also known as DEAD box protein 41 and DEAD box protein abstrakt homolog, plays a crucial role in post-transcriptional gene expression. It is speculated to be involved in pre-mRNA splicing, showcasing its importance in the regulation of gene expression.
Therapeutic significance:
DDX41's association with Myeloproliferative/lymphoproliferative neoplasms, familial, a cancer predisposition syndrome, highlights its potential as a target for therapeutic intervention. Understanding the role of DDX41 could open doors to potential therapeutic strategies.