Focused On-demand Library for Regenerating islet-derived protein 3-alpha

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q06141

UPID:
REG3A_HUMAN

ALTERNATIVE NAMES:
Hepatointestinal pancreatic protein; Human proislet peptide; Pancreatitis-associated protein 1; Regenerating islet-derived protein III-alpha

ALTERNATIVE UPACC:
Q06141

BACKGROUND:
The Regenerating islet-derived protein 3-alpha, also known as Human proislet peptide, exhibits bactericidal and bacteriostatic activities against Gram-positive bacteria. It operates by binding to peptidoglycan and phospholipids, forming pores that compromise bacterial cell integrity. Beyond its antimicrobial function, it acts hormonally to regulate keratinocyte behavior and pancreatic beta-cell proliferation, mediated through the EXTL3 receptor and associated signaling pathways.

THERAPEUTIC SIGNIFICANCE:
The multifaceted role of Regenerating islet-derived protein 3-alpha in immune modulation and tissue regeneration highlights its potential as a therapeutic target. Its involvement in skin repair and anti-inflammatory processes, alongside its capacity to stimulate pancreatic beta-cell proliferation, underscores its therapeutic significance in managing skin conditions and diabetes.

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