Focused On-demand Library for Band 3 anion transport protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 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 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

P02730

UPID:

B3AT_HUMAN

Alternative names:

Anion exchange protein 1; Solute carrier family 4 member 1

Alternative UPACC:

P02730; G4V2I6; P78487; Q1ZZ45; Q4KKW9; Q4VB84; Q9UCY7; Q9UDJ1

Background:

Band 3 anion transport protein, also known as Anion exchange protein 1 and Solute carrier family 4 member 1, plays a dual role as a transporter facilitating electroneutral anion exchange across the cell membrane and as a structural component crucial for erythrocyte membrane flexibility and stability. Its interactions with cytoskeletal proteins, glycolytic enzymes, and hemoglobin are essential for maintaining normal erythrocyte shape.

Therapeutic significance:

Linked to diseases such as Ovalocytosis, Southeast Asian, Spherocytosis 4, and various forms of Renal tubular acidosis, Band 3 anion transport protein's genetic variants underscore its clinical importance. Understanding its role could unveil novel therapeutic strategies for these hematologic and renal disorders.