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.
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
Q96A44
UPID:
SPSB4_HUMAN
Alternative names:
-
Alternative UPACC:
Q96A44
Background:
SPRY domain-containing SOCS box protein 4 plays a pivotal role in cellular processes by acting as a substrate recognition component of a SCF-like ECS E3 ubiquitin-protein ligase complex. It is crucial in mediating ubiquitination and proteasomal degradation of target proteins, regulating nitric oxide production, limiting cellular toxicity in activated macrophages, and facilitating the degradation of EphB2/CTF2 and NR1D1, impacting cell repulsion and circadian rhythms respectively.
Therapeutic significance:
Understanding the role of SPRY domain-containing SOCS box protein 4 could open doors to potential therapeutic strategies.