Focused On-demand Library for Transcriptional repressor CTCF

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 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.

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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P49711

UPID:

CTCF_HUMAN

Alternative names:

11-zinc finger protein; CCCTC-binding factor; CTCFL paralog

Alternative UPACC:

P49711; B5MC38; Q53XI7; Q59EL8

Background:

Transcriptional repressor CTCF, also known as 11-zinc finger protein, plays a pivotal role in chromatin structure and function, mediating transcriptional regulation and chromatin insulators. It binds to DNA sequence-specific sites, influencing gene expression by preventing enhancer and silencer interactions. CTCF's involvement in transcriptional repression and activation, chromatin remodeling, and epigenetic regulation underscores its multifaceted role in gene expression and cellular development.

Therapeutic significance:

The association of CTCF with Intellectual developmental disorder, autosomal dominant 21, highlights its potential as a therapeutic target. Understanding the role of Transcriptional repressor CTCF could open doors to potential therapeutic strategies, offering hope for interventions in genetic disorders linked to its dysfunction.