Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H161
UPID:
ALX4_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H161; Q96JN7; Q9H198; Q9HAY9
Background:
Homeobox protein aristaless-like 4 plays a pivotal role in craniofacial, skin, and hair follicle development. Its involvement in transcriptional regulation is crucial for skull and limb formation, highlighting its significance in developmental biology.
Therapeutic significance:
Linked to diseases such as Parietal foramina 2, Frontonasal dysplasia 2, Potocki-Shaffer syndrome, and Craniosynostosis 5, understanding the role of Homeobox protein aristaless-like 4 could open doors to potential therapeutic strategies.