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.
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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O15205
UPID:
UBD_HUMAN
Alternative names:
Diubiquitin; Ubiquitin-like protein FAT10
Alternative UPACC:
O15205; B0UZT6; Q5STL2; Q5SUK2; Q96EC7
Background:
Ubiquitin D, also known as Diubiquitin or Ubiquitin-like protein FAT10, plays a crucial role in protein degradation via the 26S proteasome, influenced by NUB1 and activated by UBA6. It enhances PSMB9/LMP2 expression, regulates NF-kappa-B activation in immune responses, and is pivotal in renal tubular epithelial cells' response to TNF-alpha. Additionally, it contributes to dendritic cell maturation, chromosome stability, and apoptosis, particularly in renal diseases.
Therapeutic significance:
Understanding the role of Ubiquitin D could open doors to potential therapeutic strategies, especially in managing immune responses and renal diseases, by targeting its pathway for drug development.