AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Collagen alpha-1(II) chain

Available from Reaxense
Predicted by Alphafold

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 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.

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

P02458

UPID:

CO2A1_HUMAN

Alternative names:

Alpha-1 type II collagen

Alternative UPACC:

P02458; A6NGA0; Q12985; Q14009; Q14044; Q14045; Q14046; Q14047; Q14056; Q14058; Q16672; Q1JQ82; Q2V4X7; Q6LBY1; Q6LBY2; Q6LBY3; Q96IT5; Q99227; Q9UE38; Q9UE39; Q9UE40; Q9UE41; Q9UE42; Q9UE43

Background:

Collagen alpha-1(II) chain, also known as Alpha-1 type II collagen, is pivotal for cartilaginous tissue integrity, playing a crucial role in embryonic skeleton development, linear growth, and cartilage's compressive force resistance.

Therapeutic significance:

Given its essential role in cartilage formation and maintenance, Collagen alpha-1(II) chain is directly implicated in various skeletal dysplasias and arthropathies, including Spondyloepiphyseal dysplasia and Kniest dysplasia. Targeting this protein could revolutionize treatments for these conditions.

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