Focused On-demand Library for Collagen alpha-2(V) chain

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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

P05997

UPID:

CO5A2_HUMAN

Alternative names:

Alternative UPACC:

P05997; P78440; Q13908; Q53WR4; Q59GR4; Q6LDJ5; Q7KZ55; Q86XF6; Q96QB0; Q96QB3

Background:

The Collagen alpha-2(V) chain plays a pivotal role in the structure of connective tissue, acting as a minor yet ubiquitous component. Its ability to bind to DNA, heparan sulfate, thrombospondin, heparin, and insulin underscores its significance in the assembly of tissue-specific matrices. This protein is integral to the formation of type V collagen, a key element of group I collagen, which is fibrillar forming.

Therapeutic significance:

The association of Collagen alpha-2(V) chain with Ehlers-Danlos syndrome, classic type, 2, highlights its clinical importance. This condition, characterized by skin hyperextensibility, joint hypermobility, and tissue fragility, underscores the therapeutic potential of targeting this protein. Understanding its role could lead to innovative treatments for connective tissue disorders.