Focused On-demand Library for BTB/POZ domain-containing protein KCTD1

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.

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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q719H9

UPID:

KCTD1_HUMAN

Alternative names:

Potassium channel tetramerization domain-containing protein 1

Alternative UPACC:

Q719H9; A8K1F5

Background:

BTB/POZ domain-containing protein KCTD1, also known as Potassium channel tetramerization domain-containing protein 1, plays a crucial role in cellular processes by potentially repressing the transcriptional activity of AP-2 family members, including TFAP2A, TFAP2B, and TFAP2C. Its involvement in transcription regulation suggests a significant impact on gene expression patterns critical for various biological functions.

Therapeutic significance:

KCTD1's association with Scalp-ear-nipple syndrome, a condition marked by scalp, breast, ear anomalies, and more, underscores its clinical relevance. Understanding the role of KCTD1 could open doors to potential therapeutic strategies for this syndrome, highlighting the importance of targeted research in uncovering treatment avenues.