AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for BPI fold-containing family A member 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

Reaxense

upacc

Q9NP55

UPID:

BPIA1_HUMAN

Alternative names:

Lung-specific protein X; Nasopharyngeal carcinoma-related protein; Palate lung and nasal epithelium clone protein; Secretory protein in upper respiratory tracts; Short PLUNC1; Tracheal epithelium-enriched protein; Von Ebner protein Hl

Alternative UPACC:

Q9NP55; A6XMV5; A8K9R3; E1P5M9; Q9NZT0

Background:

BPI fold-containing family A member 1, known for its alternative names such as Lung-specific protein X and Secretory protein in upper respiratory tracts, is a lipid-binding protein with high specificity for DPPC. It plays a crucial role in the innate immune responses of the upper airways, reducing surface tension in airway secretions and inhibiting biofilm formation by Gram-negative bacteria. Additionally, it regulates the cleavage of SCNN1G, contributing to airway surface liquid homeostasis and mucus clearance.

Therapeutic significance:

Understanding the role of BPI fold-containing family A member 1 could open doors to potential therapeutic strategies. Its involvement in airway immune responses and mucus clearance highlights its potential as a target for treating respiratory conditions.

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