Focused On-demand Library for Tripartite motif-containing protein 16

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

O95361

UPID:

TRI16_HUMAN

Alternative names:

E3 ubiquitin-protein ligase TRIM16; Estrogen-responsive B box protein

Alternative UPACC:

O95361; Q6IAL8; Q7Z6I2; Q96BE8; Q96J43

Background:

Tripartite motif-containing protein 16 (TRIM16), also known as E3 ubiquitin-protein ligase TRIM16 and Estrogen-responsive B box protein, is pivotal in autophagic response and ubiquitination following lysosomal and phagosomal damages. It orchestrates the stress-induced biogenesis and degradation of protein aggresomes through the p62-KEAP1-NRF2 signaling pathway, modulating NRF2's ubiquitination levels and stability. TRIM16 acts as a scaffold, facilitating the autophagic degradation of protein aggregates by interacting with key proteins such as p62/SQSTM, ATG16L1, and LC3B/MAP1LC3B, thereby safeguarding cells against oxidative stress-induced cell death.

Therapeutic significance:

Understanding the role of Tripartite motif-containing protein 16 could open doors to potential therapeutic strategies.