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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75396
UPID:
SC22B_HUMAN
Alternative names:
ER-Golgi SNARE of 24 kDa; SEC22 vesicle-trafficking protein homolog B; SEC22 vesicle-trafficking protein-like 1
Alternative UPACC:
O75396; A8K1G0
Background:
Vesicle-trafficking protein SEC22b, also known as ER-Golgi SNARE of 24 kDa, SEC22 vesicle-trafficking protein homolog B, and SEC22 vesicle-trafficking protein-like 1, plays a pivotal role in the transport and fusion of ER-derived transport vesicles with the Golgi complex, as well as facilitating Golgi-derived retrograde transport vesicles with the ER. This protein's unique function underscores its importance in maintaining cellular homeostasis and efficient intracellular transport.
Therapeutic significance:
Understanding the role of Vesicle-trafficking protein SEC22b could open doors to potential therapeutic strategies.