AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sulfate transporter

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our associate 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 use our state-of-the-art dedicated workflow for designing 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

P50443

UPID:

S26A2_HUMAN

Alternative names:

Diastrophic dysplasia protein; Solute carrier family 26 member 2

Alternative UPACC:

P50443; A8K2U3; B2R6J1; Q6N051

Background:

The Sulfate transporter, also known as Diastrophic dysplasia protein or Solute carrier family 26 member 2, plays a crucial role in cartilage development. It mediates sulfate uptake into chondrocytes, essential for the sulfation of proteoglycans. This protein's function is pivotal in maintaining the structural integrity and function of cartilage, facilitating chondrocyte proliferation, differentiation, and expansion.

Therapeutic significance:

Given its involvement in several skeletal dysplasias, including Diastrophic dysplasia, Achondrogenesis 1B, Atelosteogenesis 2, and Multiple epiphyseal dysplasia 4, the Sulfate transporter presents a promising target for therapeutic intervention. Understanding its role could lead to novel treatments for these debilitating conditions, offering hope for affected individuals.

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