Focused On-demand Library for E3 ubiquitin-protein ligase TRIM36

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NQ86

UPID:

TRI36_HUMAN

Alternative names:

RING finger protein 98; RING-type E3 ubiquitin transferase TRIM36; Tripartite motif-containing protein 36; Zinc-binding protein Rbcc728

Alternative UPACC:

Q9NQ86; A1L3Z1; A6NDD0; B7Z3V4; B7ZAV7; E9PFI8; Q0P5Z9

Background:

E3 ubiquitin-protein ligase TRIM36, also known as RING finger protein 98, plays a pivotal role in chromosome segregation and cell cycle regulation. Its activity is crucial for ubiquitination and proteasomal degradation of target proteins, impacting processes from the acrosome reaction to fertilization.

Therapeutic significance:

Linked to Anencephaly 1, a severe neural tube defect, TRIM36's genetic variants underscore its critical developmental role. Understanding TRIM36's function could unveil new therapeutic avenues for this and potentially other related disorders.