Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60826
UPID:
CCD22_HUMAN
Alternative names:
-
Alternative UPACC:
O60826; A8K7G1
Background:
Coiled-coil domain-containing protein 22 plays a pivotal role in cellular processes, including NF-kappa-B signaling regulation, endosomal recycling of surface proteins, and copper ion homeostasis. It is involved in the ubiquitination and proteasomal degradation of IKBKB, leading to NF-kappa-B activation, and regulates the cellular localization of COMM domain-containing proteins.
Therapeutic significance:
Understanding the role of Coiled-coil domain-containing protein 22 could open doors to potential therapeutic strategies for Ritscher-Schinzel syndrome 2, characterized by developmental malformations and intellectual disability.