Focused On-demand Library for Collagen alpha-1(III) 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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

P02461

UPID:

CO3A1_HUMAN

Alternative names:

Alternative UPACC:

P02461; D2JYH5; D3DPH4; P78429; Q15112; Q16403; Q53S91; Q541P8; Q6LDB3; Q6LDJ2; Q6LDJ3; Q7KZ56; Q8N6U4; Q9UC88; Q9UC89; Q9UC90; Q9UC91; R4N3C5; V9GZI1

Background:

Collagen alpha-1(III) chain, a pivotal component of soft connective tissues, plays a crucial role alongside type I collagen. It is instrumental in cortical development and acts as the primary ligand for ADGRG1 in the developing brain, influencing neuronal migration and activating the RhoA pathway through its interaction with GNA13 and possibly GNA12.

Therapeutic significance:

The protein's involvement in Ehlers-Danlos syndrome, vascular type, and Polymicrogyria with or without vascular-type Ehlers-Danlos syndrome underscores its clinical importance. Understanding the role of Collagen alpha-1(III) chain could unveil new therapeutic strategies for these connective tissue disorders, characterized by skin hyperextensibility, joint hypermobility, and tissue fragility, alongside severe vascular complications.