Focused On-demand Library for Protein EOLA1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

Q8TE69

UPID:

EOLA1_HUMAN

Alternative names:

Endothelial-overexpressed lipopolysaccharide-associated factor 1; Endothelium and lymphocyte associated ASCH domain 1

Alternative UPACC:

Q8TE69; A0A0A0MTB5; A8K784; B7Z6H6; B7ZL96; D6RA72; E7ENU3; Q2M3E9

Background:

Protein EOLA1, also known as Endothelial-overexpressed lipopolysaccharide-associated factor 1 and Endothelium and lymphocyte associated ASCH domain 1, plays a crucial role in cell protection during inflammatory responses. It achieves this by negatively regulating IL6 production and apoptosis in epithelial cells through the modulation of MT2A expression.

Therapeutic significance:

Understanding the role of Protein EOLA1 could open doors to potential therapeutic strategies, particularly in managing inflammatory diseases by targeting its regulatory mechanisms on IL6 production and apoptosis.