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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9P2K1
UPID:
C2D2A_HUMAN
Alternative names:
-
Alternative UPACC:
Q9P2K1; A6ND97; B3FW08; D6RB72; E7EP21; E9PEV5; Q3SYP3; Q9H8A7
Background:
Coiled-coil and C2 domain-containing protein 2A plays a pivotal role in ciliogenesis and sonic hedgehog signaling, essential processes for cellular communication and development. Its presence in the tectonic-like complex at primary cilia transition zones underscores its importance in preventing protein diffusion between cilia and plasma membranes.
Therapeutic significance:
Linked to diseases such as Meckel syndrome 6, Joubert syndrome 9, COACH syndrome 2, and Retinitis pigmentosa 93, understanding the role of Coiled-coil and C2 domain-containing protein 2A could open doors to potential therapeutic strategies. Its involvement in these disorders highlights its significance in neural, renal, and visual systems.