Focused On-demand Library for COUP transcription factor 1

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P10589

UPID:

COT1_HUMAN

Alternative names:

COUP transcription factor I; Nuclear receptor subfamily 2 group F member 1; V-erbA-related protein 3

Alternative UPACC:

P10589

Background:

COUP transcription factor 1, also known as Nuclear receptor subfamily 2 group F member 1, plays a pivotal role in gene expression regulation. It binds to the ovalbumin promoter, stimulating transcription initiation in conjunction with S300-II. This protein's ability to bind both direct repeats and palindromes of the 5'-AGGTCA-3' motif showcases its versatility in gene regulation.

Therapeutic significance:

Linked to Bosch-Boonstra-Schaaf optic atrophy syndrome, a disorder marked by optic atrophy, developmental delay, and intellectual disability, COUP transcription factor 1's study could lead to novel therapeutic avenues. Understanding its role in cerebral visual impairment offers a promising pathway for targeted treatment strategies.