AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Lipid transferase CIDEB

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.

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.

We employ our advanced, specialised process to create targeted 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

Q9UHD4

UPID:

CIDEB_HUMAN

Alternative names:

Cell death activator CIDE-B; Cell death-inducing DFFA-like effector B

Alternative UPACC:

Q9UHD4; D3DS73; Q546V8; Q9NNW9

Background:

Lipid transferase CIDEB, also known as Cell death activator CIDE-B, plays a pivotal role in lipid metabolism within hepatocytes. It facilitates unilocular lipid droplet formation through lipid droplet fusion, enhancing lipid storage and limiting lipolysis. CIDEB localizes on the lipid droplet surface, mediating lipid transfer and droplet fusion, crucial for hepatocyte function. It also participates in cytoplasmic vesicle biogenesis and transport, essential for very-low-density lipoprotein (VLDL) lipidation and maturation.

Therapeutic significance:

Understanding the role of Lipid transferase CIDEB could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and VLDL formation highlights its potential as a target in treating metabolic disorders and liver diseases.

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