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.
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.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q86W24
UPID:
NAL14_HUMAN
Alternative names:
Nucleotide-binding oligomerization domain protein 5
Alternative UPACC:
Q86W24; Q7RTR6
Background:
NACHT, LRR, and PYD domains-containing protein 14, also known as Nucleotide-binding oligomerization domain protein 5, plays a crucial role in the body's immune response. Its involvement in inflammation and spermatogenesis highlights its significance in both immune system functioning and reproductive health.
Therapeutic significance:
Understanding the role of NACHT, LRR, and PYD domains-containing protein 14 could open doors to potential therapeutic strategies. Its pivotal role in key biological processes makes it a prime target for drug discovery efforts aimed at treating inflammatory conditions and reproductive disorders.