AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Stromal cell-derived factor 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

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

P48061

UPID:

SDF1_HUMAN

Alternative names:

C-X-C motif chemokine 12; Intercrine reduced in hepatomas; Pre-B cell growth-stimulating factor

Alternative UPACC:

P48061; B2R4G0; E7EVL0; H7BYN8; Q2L985; Q2L986; Q2L988; Q5IT36; Q6ICW0; Q9H554

Background:

Stromal cell-derived factor 1 (SDF-1), also known as C-X-C motif chemokine 12, plays a pivotal role in chemotaxis, acting as a chemoattractant for T-lymphocytes and monocytes. It activates the CXCR4 receptor, inducing calcium ion mobilization and cell migration. SDF-1's interaction with integrins and the atypical chemokine receptor ACKR3 highlights its complex regulatory functions in cellular signaling and migration, essential for both immune responses and developmental processes.

Therapeutic significance:

Understanding the role of Stromal cell-derived factor 1 could open doors to potential therapeutic strategies. Its involvement in monocyte migration and adhesion, as well as its protective role after myocardial infarction, underscores its potential as a target for therapeutic intervention in cardiovascular diseases and immune modulation.

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