Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised 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
Q15293
UPID:
RCN1_HUMAN
Alternative names:
-
Alternative UPACC:
Q15293; B7Z1M1; D3DR00
Background:
Reticulocalbin-1 plays a crucial role in regulating calcium-dependent activities within the endoplasmic reticulum lumen or post-ER compartment. This protein's unique function highlights its importance in cellular calcium homeostasis, a critical factor in numerous cellular processes.
Therapeutic significance:
Understanding the role of Reticulocalbin-1 could open doors to potential therapeutic strategies. Its involvement in calcium regulation presents a promising avenue for research into diseases where calcium homeostasis is disrupted.