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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P29034
UPID:
S10A2_HUMAN
Alternative names:
CAN19; Protein S-100L; S100 calcium-binding protein A2
Alternative UPACC:
P29034; O00266; Q3KRB9; Q5RHS8; Q9BU83
Background:
Protein S100-A2, also known as CAN19, Protein S-100L, and S100 calcium-binding protein A2, plays a crucial role in cellular calcium signaling. It functions as a calcium sensor and modulator, interacting with TPR-containing proteins to influence physiological processes. Additionally, S100-A2 may contribute to tumor suppression by regulating cell growth.
Therapeutic significance:
Understanding the role of Protein S100-A2 could open doors to potential therapeutic strategies. Its involvement in calcium signaling and tumor suppression highlights its significance in developing treatments for diseases where calcium dysregulation and cancer proliferation are central.