Focused On-demand Library for EGF-containing fibulin-like extracellular matrix protein 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 high-tech, dedicated method is applied to construct targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O95967

UPID:

FBLN4_HUMAN

Alternative names:

Fibulin-4; Protein UPH1

Alternative UPACC:

O95967; A8K7R4; B3KM31; B3KQT1; O75967

Background:

EGF-containing fibulin-like extracellular matrix protein 2, also known as Fibulin-4 and Protein UPH1, is pivotal in elastic fiber formation and collagen fibril assembly in tissues. It ensures the integrity of the aorta's wall by forming ultrastructural connections between elastic laminae and smooth muscle cells, and regulates vascular smooth muscle cells proliferation via angiotensin signaling.

Therapeutic significance:

The protein's mutation is linked to Cutis laxa, autosomal recessive, 1B, a disorder affecting connective tissue elasticity and resilience. Understanding the role of EGF-containing fibulin-like extracellular matrix protein 2 could open doors to potential therapeutic strategies for treating connective tissue disorders and cardiovascular diseases.