Focused On-demand Library for Polyunsaturated fatty acid lipoxygenase ALOX15B

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O15296

UPID:

LX15B_HUMAN

Alternative names:

15-lipoxygenase 2; Arachidonate 15-lipoxygenase B; Arachidonate 15-lipoxygenase type II; Linoleate 13-lipoxygenase 15-LOb

Alternative UPACC:

O15296; D3DTR2; Q8IYQ2; Q8TEV3; Q8TEV4; Q8TEV5; Q8TEV6; Q9UKM4

Background:

Polyunsaturated fatty acid lipoxygenase ALOX15B, also known as 15-lipoxygenase 2, plays a crucial role in the metabolism of polyunsaturated fatty acids (PUFAs). It catalyzes the peroxidation of PUFAs, leading to the production of bioactive lipid mediators. These mediators are involved in various biological processes, including inflammation and cell proliferation. ALOX15B's ability to convert arachidonate and linoleate into hydroperoxyeicosatetraenoate and hydroperoxyoctadecadienoate, respectively, underscores its significance in cellular signaling and immune response modulation.

Therapeutic significance:

Understanding the role of Polyunsaturated fatty acid lipoxygenase ALOX15B could open doors to potential therapeutic strategies. Its involvement in the production of bioactive lipid mediators suggests a pivotal role in regulating inflammation and immune responses, making it a target of interest for developing anti-inflammatory and immune-modulating drugs.