Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P80511
UPID:
S10AC_HUMAN
Alternative names:
CGRP; Calcium-binding protein in amniotic fluid 1; Calgranulin-C; Extracellular newly identified RAGE-binding protein; Migration inhibitory factor-related protein 6; Neutrophil S100 protein; S100 calcium-binding protein A12
Alternative UPACC:
P80511; P83219; Q5SY66; Q7M4R1
Background:
Protein S100-A12, also known as CGRP or Calgranulin-C, is a multifunctional protein involved in the regulation of inflammatory processes and immune response. It binds calcium, zinc, and copper, playing a critical role in leukocyte recruitment, cytokine production, and regulation of leukocyte adhesion and migration. Its interaction with the receptor for advanced glycation endproducts (AGER) triggers signaling pathways essential for the immune response.
Therapeutic significance:
Understanding the role of Protein S100-A12 could open doors to potential therapeutic strategies. Its involvement in inflammatory responses and immune regulation highlights its potential as a target for treating inflammatory diseases. The protein's ability to modulate leukocyte behavior and cytokine production offers a promising avenue for therapeutic intervention.