Focused On-demand Library for Lipid transferase CIDEB

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

Our high-tech, dedicated method is applied to construct targeted 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

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.