Focused On-demand Library for Polyunsaturated fatty acid lipoxygenase ALOX15

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.

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

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.

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

P16050

UPID:

LOX15_HUMAN

Alternative names:

12/15-lipoxygenase; Arachidonate 12-lipoxygenase, leukocyte-type; Arachidonate 15-lipoxygenase; Arachidonate omega-6 lipoxygenase; Hepoxilin A3 synthase Alox15; Linoleate 13S-lipoxygenase

Alternative UPACC:

P16050; A8K2P4; B7ZA11; Q8N6R7; Q99657

Background:

Polyunsaturated fatty acid lipoxygenase ALOX15, known for its roles as 12/15-lipoxygenase, plays a pivotal role in the metabolism of polyunsaturated fatty acids into bioactive lipid mediators. This enzyme's activity includes the peroxidation of arachidonate and linoleate, leading to the production of compounds with significant biological activities, such as hepoxilins, resolvins, and protectins. These mediators are crucial in inflammation, immune response regulation, and wound healing processes.

Therapeutic significance:

Understanding the role of Polyunsaturated fatty acid lipoxygenase ALOX15 could open doors to potential therapeutic strategies. Its involvement in producing lipid mediators that regulate inflammation and immune responses highlights its potential as a target for developing treatments for inflammatory diseases, promoting wound healing, and modulating immune system activities.