Focused On-demand Library for T-complex protein 1 subunit theta

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised 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

P50990

UPID:

TCPQ_HUMAN

Alternative names:

CCT-theta; Chaperonin containing T-complex polypeptide 1 subunit 8; Renal carcinoma antigen NY-REN-15

Alternative UPACC:

P50990; A6NN54; B4DEM7; B4DQH4; Q4VBP8

Background:

T-complex protein 1 subunit theta, known as CCT-theta, plays a crucial role in cellular function as part of the chaperonin-containing T-complex (TRiC). This complex is vital for the folding of proteins upon ATP hydrolysis, assisting in the proper assembly of key proteins such as WRAP53/TCAB1 for telomere maintenance and components of the BBSome complex for ciliogenesis. Additionally, it is involved in the folding of actin and tubulin, essential for cellular structure and transport.

Therapeutic significance:

Understanding the role of T-complex protein 1 subunit theta could open doors to potential therapeutic strategies.