AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Oxysterol-binding protein 1

Available from Reaxense
Predicted by Alphafold

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P22059

UPID:

OSBP1_HUMAN

Alternative names:

-

Alternative UPACC:

P22059; Q6P524

Background:

Oxysterol-binding protein 1 (OSBP1) plays a pivotal role in lipid transport, specifically mediating the exchange of sterols and phosphatidylinositol 4-phosphate between the Golgi complex and the endoplasmic reticulum. This process is crucial for maintaining cellular lipid balance. OSBP1's ability to bind cholesterol and various oxysterols, such as 25-hydroxycholesterol, influences several cellular processes, including cholesterol efflux and the regulation of ERK1/2 phosphorylation through its interaction with PP2A and a tyrosine phosphatase.

Therapeutic significance:

Understanding the role of Oxysterol-binding protein 1 could open doors to potential therapeutic strategies. Its involvement in lipid transport and cholesterol homeostasis presents it as a promising target for addressing disorders related to lipid imbalance and cholesterol metabolism.

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