Focused On-demand Library for Macrophage-expressed gene 1 protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

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

Q2M385

UPID:

MPEG1_HUMAN

Alternative names:

Perforin-2

Alternative UPACC:

Q2M385; Q2M1T6; Q8TEF8

Background:

Macrophage-expressed gene 1 protein, also known as Perforin-2, is pivotal in the innate immune response to bacterial infections. It functions by forming pores in the bacterial surface, allowing antimicrobial agents to enter and degrade vital bacterial proteins. This protein exhibits broad-spectrum antibacterial activity against Gram-positive, Gram-negative, and acid-fast bacteria, highlighting its essential role in combating various pathogens.

Therapeutic significance:

Given its crucial role in immune defense, particularly in conditions like Immunodeficiency 77 where macrophages show impaired killing of intracellular bacteria, Perforin-2 represents a promising target for therapeutic intervention. Enhancing its function could lead to novel treatments for this and similar immunodeficiencies.