Focused On-demand Library for Lysophosphatidylserine lipase ABHD12

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q8N2K0

UPID:

ABD12_HUMAN

Alternative names:

2-arachidonoylglycerol hydrolase ABHD12; Abhydrolase domain-containing protein 12; Monoacylglycerol lipase ABHD12; Oxidized phosphatidylserine lipase ABHD12

Alternative UPACC:

Q8N2K0; A6NED4; A6NJ90; A8K450; B4DE71; Q5T710; Q5T711; Q96CR1; Q9BX05; Q9NPX7; Q9UFV6

Background:

Lysophosphatidylserine lipase ABHD12 plays a pivotal role in the central nervous system by hydrolyzing lysophosphatidylserine and oxidized phosphatidylserine, key signaling lipids involved in immunological and neurological processes. It also exhibits monoacylglycerol lipase activity, regulating endocannabinoid signaling pathways. ABHD12's preference for very-long-chain lipid substrates underscores its unique enzymatic profile.

Therapeutic significance:

ABHD12's dysfunction is linked to Polyneuropathy, hearing loss, ataxia, retinitis pigmentosa, and cataract, a neurologic disorder with a spectrum of clinical features. Targeting ABHD12's enzymatic activity presents a promising avenue for therapeutic intervention in this multifaceted disease.