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.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NZ09
UPID:
UBAP1_HUMAN
Alternative names:
Nasopharyngeal carcinoma-associated gene 20 protein
Alternative UPACC:
Q9NZ09; B7Z348; B7Z8N9; D3DRL7; F5GXE2; F5H0J8; Q4V759; Q53FP7; Q5T7B3; Q6FI75; Q8NC52; Q8NCG6; Q8NCH9
Background:
Ubiquitin-associated protein 1, also known as Nasopharyngeal carcinoma-associated gene 20 protein, plays a crucial role in the ESCRT-I complex, regulating vesicular trafficking processes. It binds to ubiquitinated cargo proteins, facilitating their sorting into multivesicular bodies (MVBs) and is instrumental in the proteasomal degradation of ubiquitinated cell-surface proteins, including EGFR and BST2.
Therapeutic significance:
The protein's involvement in Spastic paraplegia 80, an autosomal dominant neurodegenerative disorder, underscores its therapeutic significance. Understanding the role of Ubiquitin-associated protein 1 could open doors to potential therapeutic strategies for managing and treating this condition.