Focused On-demand Library for Hemoglobin subunit theta-1

Focused On-demand Libraries - Reaxense 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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused 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

P09105

UPID:

HBAT_HUMAN

Alternative names:

Hemoglobin theta-1 chain; Theta-1-globin

Alternative UPACC:

P09105; Q13723; Q1W6G5

Background:

Hemoglobin subunit theta-1, also known as Hemoglobin theta-1 chain or Theta-1-globin, is a protein encoded by the gene with the accession number P09105. This protein is a component of the hemoglobin complex, playing a crucial role in the transport of oxygen and carbon dioxide in the blood. Its structure and function are vital for maintaining the efficiency of gas exchange and overall respiratory function.

Therapeutic significance:

Understanding the role of Hemoglobin subunit theta-1 could open doors to potential therapeutic strategies. Its critical function in oxygen and carbon dioxide transport highlights its importance in respiratory health and diseases. Exploring its mechanisms further could lead to breakthroughs in treating conditions related to oxygen transport and utilization.