Focused On-demand Library for Coiled-coil and C2 domain-containing protein 2A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 employ our advanced, specialised process to create targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.