Focused On-demand Library for Cbp/p300-interacting transactivator 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

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.