Focused On-demand Library for Twist-related protein 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

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 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

Q8WVJ9

UPID:

TWST2_HUMAN

Alternative names:

Class A basic helix-loop-helix protein 39; Dermis-expressed protein 1

Alternative UPACC:

Q8WVJ9; Q3SYL6

Background:

Twist-related protein 2, also known as Class A basic helix-loop-helix protein 39 or Dermis-expressed protein 1, plays a crucial role in transcriptional regulation, energy metabolism, and osteogenesis. It binds to the E-box consensus sequence, repressing the expression of pro-inflammatory cytokines and inhibiting premature differentiation of preosteoblast cells.

Therapeutic significance:

Linked to diseases such as Focal facial dermal dysplasia 3, Setleis type, Ablepharon-macrostomia syndrome, and Barber-Say syndrome, Twist-related protein 2's involvement in ectodermal dysplasias highlights its potential as a target for therapeutic intervention. Understanding its role could open doors to novel treatments for these conditions.