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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O95486
UPID:
SC24A_HUMAN
Alternative names:
SEC24-related protein A
Alternative UPACC:
O95486; A8MVW3; Q8WUV2; Q96GP7
Background:
Protein transport protein Sec24A, also known as SEC24-related protein A, is a crucial component of the COPII complex, facilitating the formation of transport vesicles from the endoplasmic reticulum (ER) to the Golgi complex. It plays a pivotal role in cargo selection, showing a preference for cargos with specific motifs, indicating its selective nature in protein transport.
Therapeutic significance:
Understanding the role of Protein transport protein Sec24A could open doors to potential therapeutic strategies.