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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P57775
UPID:
FBXW4_HUMAN
Alternative names:
Dactylin; F-box and WD-40 domain-containing protein 4
Alternative UPACC:
P57775; Q5SVS1; Q96IM6
Background:
F-box/WD repeat-containing protein 4, also known as Dactylin, plays a pivotal role in limb development. It is believed to recognize and bind phosphorylated proteins, facilitating their ubiquitination and degradation. This protein is integral to the Wnt signaling pathway, a critical mechanism for cell-to-cell communication during embryogenesis.
Therapeutic significance:
Split-hand/foot malformation 3, a limb malformation disorder, is directly linked to mutations in the gene encoding F-box/WD repeat-containing protein 4. Understanding the role of this protein could open doors to potential therapeutic strategies for this congenital anomaly.