Focused On-demand Library for Collectin-12

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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.

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

Q5KU26

UPID:

COL12_HUMAN

Alternative names:

Collectin placenta protein 1; Nurse cell scavenger receptor 2; Scavenger receptor class A member 4; Scavenger receptor with C-type lectin

Alternative UPACC:

Q5KU26; Q6P9F2; Q8TCR2; Q8WZA4; Q9BY85; Q9BYH7

Background:

Collectin-12, known by alternative names such as Collectin placenta protein 1 and Scavenger receptor class A member 4, plays a pivotal role in host defense mechanisms. It is involved in the binding and phagocytosis of various pathogens, including Gram-positive and Gram-negative bacteria, as well as yeast. Furthermore, it facilitates the recognition, internalization, and degradation of oxidatively modified low-density lipoprotein (oxLDL), crucial for vascular health. Collectin-12 also exhibits specificity in binding to a range of carbohydrates in a calcium-dependent manner, highlighting its versatility in cellular functions.

Therapeutic significance:

Understanding the role of Collectin-12 could open doors to potential therapeutic strategies, particularly in combating infectious diseases and managing vascular health through the clearance of oxLDL.