Focused On-demand Library for Peptidoglycan recognition protein 4

Focused On-demand Libraries - Receptor.AI 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. 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.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q96LB8

UPID:
PGRP4_HUMAN

ALTERNATIVE NAMES:
Peptidoglycan recognition protein I-beta; Peptidoglycan recognition protein intermediate beta

ALTERNATIVE UPACC:
Q96LB8; A8K838; Q3B822; Q3B823; Q5SY63; Q5SY64; Q9HD75

BACKGROUND:
Peptidoglycan recognition protein 4, with alternative names such as Peptidoglycan recognition protein I-beta, is integral to the body's first line of defense against bacterial infections. It targets Gram-positive bacteria with bactericidal action and Gram-negative bacteria with bacteriostatic effects, highlighting its versatile role in innate immunity.

THERAPEUTIC SIGNIFICANCE:
The exploration of Peptidoglycan recognition protein 4's bactericidal and bacteriostatic mechanisms offers promising avenues for the creation of innovative antimicrobial therapies. Its pivotal role in combating bacterial pathogens positions it as a key target for drug discovery efforts.

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