Focused On-demand Library for 1-acylglycerol-3-phosphate O-acyltransferase ABHD5

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q8WTS1

UPID:

ABHD5_HUMAN

Alternative names:

Abhydrolase domain-containing protein 5; Lipid droplet-binding protein CGI-58

Alternative UPACC:

Q8WTS1; B2R9K0; Q9Y369

Background:

1-acylglycerol-3-phosphate O-acyltransferase ABHD5, also known as Abhydrolase domain-containing protein 5 and Lipid droplet-binding protein CGI-58, plays a pivotal role in lipid metabolism. It catalyzes the transfer of acyl groups to lysophosphatidic acid, contributing to phosphatidic acid biosynthesis and the regulation of triacylglycerol storage. ABHD5 is involved in keratinocyte differentiation and lipid droplet fusion, highlighting its multifunctional nature.

Therapeutic significance:

ABHD5's mutation is linked to Chanarin-Dorfman syndrome, a disorder characterized by lipid metabolism abnormalities and multisystemic triglyceride accumulation. Understanding ABHD5's role could pave the way for innovative treatments for this syndrome and potentially other lipid-related disorders.