Focused On-demand Library for Cbp/p300-interacting transactivator 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our top-notch dedicated system is used to design specialised 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.

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

Q99967

UPID:

CITE2_HUMAN

Alternative names:

MSG-related protein 1; P35srj

Alternative UPACC:

Q99967; O95426; Q5VTF4

Background:

Cbp/p300-interacting transactivator 2, also known as MSG-related protein 1 or P35srj, is a pivotal protein in transcriptional regulation. It serves as a bridge linking TFAP2 transcription factors to the p300/CBP transcriptional coactivator complex, enhancing transcriptional activation. This protein is involved in various critical biological processes, including TGF-beta signaling, PPARA transcriptional activity, and estrogen-dependent transactivation. It also plays a significant role in sex determination, embryonic left-right patterning, and adrenal cortex differentiation.

Therapeutic significance:

Given its involvement in congenital cardiovascular anomalies like Ventricular septal defect 2 and Atrial septal defect 8, understanding the role of Cbp/p300-interacting transactivator 2 could open doors to potential therapeutic strategies. Its critical function in heart development and disease implicates it as a target for genetic and pharmacological intervention.