Focused On-demand Library for Ubiquilin-2

Focused On-demand Libraries - Reaxense Collaboration

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.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UHD9

UPID:

UBQL2_HUMAN

Alternative names:

Chap1; DSK2 homolog; Protein linking IAP with cytoskeleton 2; Ubiquitin-like product Chap1/Dsk2

Alternative UPACC:

Q9UHD9; O94798; Q5D027; Q9H3W6; Q9HAZ4

Background:

Ubiquilin-2, known by alternative names such as Chap1 and DSK2 homolog, plays a pivotal role in protein degradation pathways including the ubiquitin-proteasome system (UPS), autophagy, and the ER-associated protein degradation (ERAD) pathway. It targets misfolded or accumulated proteins for degradation, mediates autophagosome-lysosome fusion, and is involved in the maturation of the autophagy-related protein LC3.

Therapeutic significance:

Ubiquilin-2's involvement in Amyotrophic lateral sclerosis 15, a neurodegenerative disorder, underscores its therapeutic significance. Understanding the role of Ubiquilin-2 could lead to novel therapeutic strategies for treating this fatal paralysis, highlighting the importance of research into its functions and disease associations.