Focused On-demand Library for POC1 centriolar protein homolog A

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

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

Q8NBT0

UPID:

POC1A_HUMAN

Alternative names:

Pix2; Proteome of centriole protein 1A; WD repeat-containing protein 51A

Alternative UPACC:

Q8NBT0; A4FUW4; E9PFC6; Q0VDF8; Q2TAK6; Q96IK6; Q9UFJ8

Background:

POC1 centriolar protein homolog A (POC1A), also known as Pix2, Proteome of centriole protein 1A, and WD repeat-containing protein 51A, is pivotal in centriole assembly and stability, as well as ciliogenesis. It plays a crucial role in the early stages of centriole duplication and in the regulation of centriole length, working alongside POC1B to ensure centriole integrity and proper formation of the mitotic spindle.

Therapeutic significance:

The protein is linked to Short stature, onychodysplasia, facial dysmorphism, and hypotrichosis, a syndrome marked by severe growth retardation and skeletal abnormalities. Understanding the role of POC1 centriolar protein homolog A could open doors to potential therapeutic strategies for this condition, by targeting the abnormal mitotic mechanics and impaired ciliogenesis observed in affected individuals.