Focused On-demand Library for Tubby protein homolog

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.

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.

We utilise our cutting-edge, exclusive workflow to develop 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 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

P50607

UPID:

TUB_HUMAN

Alternative names:

Alternative UPACC:

P50607; D3DQU4; O00293; Q6B007

Background:

The Tubby protein homolog plays a pivotal role in signal transduction from heterotrimeric G protein-coupled receptors, crucial for cellular communication and function. It binds to membranes with phosphatidylinositol 4,5-bisphosphate and has the ability to bind DNA in vitro. This protein is implicated in the regulation of transcription in the nucleus and may influence the hypothalamic regulation of body weight. Additionally, it aids in the phagocytosis of apoptotic cells in the retinal pigment epithelium and macrophages.

Therapeutic significance:

The Tubby protein homolog is directly associated with retinal dystrophy and obesity, a disease marked by obesity, night blindness, and decreased visual acuity. Understanding the role of the Tubby protein homolog could open doors to potential therapeutic strategies for managing and treating this complex condition.