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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9P2H3
UPID:
IFT80_HUMAN
Alternative names:
WD repeat-containing protein 56
Alternative UPACC:
Q9P2H3; B4E0K1; C9J8I0; Q3MJC4; Q86YF4; Q9UIX1
Background:
Intraflagellar transport protein 80 homolog, also known as WD repeat-containing protein 56, plays a crucial role in the development and maintenance of motile and sensory cilia. Its involvement in the intraflagellar transport (IFT) complex B underscores its importance in cellular processes.
Therapeutic significance:
Linked to Short-rib thoracic dysplasia 2 with or without polydactyly, a condition marked by skeletal abnormalities and potential organ anomalies, understanding the role of Intraflagellar transport protein 80 homolog could open doors to potential therapeutic strategies.