Focused On-demand Library for Peptidoglycan recognition protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

The method includes extensive molecular simulations of the target protein alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that considers conformational mobility in both free and complex states. Potential binding pockets are examined on the protein-protein interaction interface and in distant allosteric sites to cover all possible mechanisms of action.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O75594

UPID:

PGRP1_HUMAN

Alternative names:

Peptidoglycan recognition protein short

Alternative UPACC:

O75594; Q4VB36

Background:

Peptidoglycan recognition protein 1 (PGRP1), also known as Peptidoglycan recognition protein short, is a key player in innate immunity. It binds to murein peptidoglycans of Gram-positive bacteria, providing bactericidal activity. PGRP1 forms complexes with proteins such as HSPA1A and S100A4, inducing apoptosis and necroptosis in tumor cells and acting as a chemoattractant for lymphocytes, respectively.

Therapeutic significance:

Understanding the role of Peptidoglycan recognition protein 1 could open doors to potential therapeutic strategies. Its ability to induce programmed cell death in tumor lines and modulate immune response highlights its potential in cancer therapy and immunomodulation.