Focused On-demand Library for Cytochrome P450 4V2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q6ZWL3

UPID:

CP4V2_HUMAN

Alternative names:

Docosahexaenoic acid omega-hydroxylase CYP4V2; Long-chain fatty acid omega-monooxygenase

Alternative UPACC:

Q6ZWL3; B7U6W2; Q6ZTM4

Background:

Cytochrome P450 4V2, also known as Docosahexaenoic acid omega-hydroxylase CYP4V2, plays a crucial role in fatty acid metabolism within the eye. It specializes in the omega-hydroxylation of polyunsaturated fatty acids, including DHA and EPA, vital for retinal health. This enzyme's activity is pivotal in maintaining the balance of retinal fatty acids, essential for proper visual function.

Therapeutic significance:

The enzyme's link to Bietti crystalline corneoretinal dystrophy, a disease marked by retinal degeneration and vision loss, underscores its therapeutic potential. Understanding Cytochrome P450 4V2's function could lead to breakthroughs in treating or managing this ocular disease, offering hope for those affected by this progressive condition.