Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P02741
UPID:
CRP_HUMAN
Alternative names:
-
Alternative UPACC:
P02741; A8K078; D3DVD9; D3DVE0; Q08AK3; Q8WW75
Background:
C-reactive protein plays a pivotal role in host defense mechanisms, including agglutination, bacterial capsular swelling, phagocytosis, and complement fixation, facilitated by its calcium-dependent binding to phosphorylcholine. It also interacts with DNA and histones, potentially scavenging nuclear material from damaged cells in circulation.
Therapeutic significance:
Understanding the role of C-reactive protein could open doors to potential therapeutic strategies.