AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cell cycle control protein 50B

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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 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

Q3MIR4

UPID:

CC50B_HUMAN

Alternative names:

P4-ATPase flippase complex beta subunit TMEM30B; Transmembrane protein 30B

Alternative UPACC:

Q3MIR4; B3KR84; Q14D00

Background:

Cell cycle control protein 50B, also known as TMEM30B, is a critical component of the P4-ATPase flippase complex. This complex plays a pivotal role in maintaining the asymmetric distribution of phospholipids across membranes by transporting aminophospholipids from the outer to the inner leaflet. This process is essential for vesicle formation and the uptake of lipid signaling molecules, with TMEM30B assisting in substrate binding and facilitating the export of alpha subunits from the ER to the plasma membrane.

Therapeutic significance:

Understanding the role of Cell cycle control protein 50B could open doors to potential therapeutic strategies. Its involvement in phospholipid translocation and membrane asymmetry is fundamental to cellular processes, suggesting that modulation of its activity could have therapeutic implications.

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