Focused On-demand Library for Pulmonary surfactant-associated protein A1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 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.

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

Q8IWL2

UPID:

SFTA1_HUMAN

Alternative names:

35 kDa pulmonary surfactant-associated protein; Alveolar proteinosis protein; Collectin-4

Alternative UPACC:

Q8IWL2; A8K3T8; B7ZW50; E3VLD8; E3VLD9; E3VLE0; E3VLE1; G5E9J3; P07714; Q14DV4; Q5RIR5; Q5RIR7; Q6PIT0; Q8TC19

Background:

Pulmonary surfactant-associated protein A1 (SFTPA1) plays a crucial role in respiratory function by reducing surface tension in the alveoli and facilitating normal breathing. It binds to surfactant phospholipids in the presence of calcium ions and enhances the expression of MYO18A/SP-R210 on alveolar macrophages. Additionally, SFTPA1 is involved in the immune response, recognizing and opsonizing pathogens to aid their elimination.

Therapeutic significance:

SFTPA1 is linked to interstitial lung disease 1 and respiratory distress syndrome in premature infants, diseases characterized by impaired gas exchange and lung function. Understanding the role of SFTPA1 could lead to novel therapeutic strategies for these conditions, emphasizing its importance in drug discovery for respiratory diseases.