Focused On-demand Library for Twist-related protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q15672

UPID:

TWST1_HUMAN

Alternative names:

Class A basic helix-loop-helix protein 38; H-twist

Alternative UPACC:

Q15672; A4D128; Q92487; Q99804

Background:

Twist-related protein 1, also known as Class A basic helix-loop-helix protein 38 or H-twist, plays a pivotal role in transcriptional regulation. It inhibits myogenesis by interacting with E proteins, MEF2, and MYOD1, and represses pro-inflammatory cytokines. This protein is crucial in cranial suture patterning and fusion, influencing FGFR2, POSTN, and THBS1 expression through dimer composition. Its activity affects osteoblast differentiation and the circadian transcriptional activator NPAS2-BMAL1.

Therapeutic significance:

Twist-related protein 1 is implicated in several cranial development disorders, including Saethre-Chotzen syndrome, Robinow-Sorauf syndrome, Craniosynostosis 1, and Sweeney-Cox syndrome. These conditions highlight the protein's significant role in skull growth and facial development. Understanding the role of Twist-related protein 1 could open doors to potential therapeutic strategies for these craniofacial abnormalities.