Focused On-demand Library for Solute carrier organic anion transporter family member 2A1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q92959

UPID:

SO2A1_HUMAN

Alternative names:

OATP2A1; PHOAR2; Prostaglandin transporter; Solute carrier family 21 member 2

Alternative UPACC:

Q92959; Q86V98; Q8IUN2

Background:

Solute carrier organic anion transporter family member 2A1 (SLCO2A1), also known as Prostaglandin transporter (PGT), plays a pivotal role in mediating the transport of prostaglandins and thromboxanes across cell membranes. These molecules are crucial for various physiological processes including inflammation, vascular tone, and renal function. SLCO2A1's ability to facilitate the clearance of prostaglandins from circulation underscores its importance in maintaining homeostasis.

Therapeutic significance:

Mutations in SLCO2A1 are linked to Hypertrophic osteoarthropathy, primary, autosomal recessive, 2, and autosomal dominant forms, diseases characterized by painful joint enlargement and skin thickening. Understanding the role of SLCO2A1 could open doors to potential therapeutic strategies for these conditions, highlighting its significance in drug discovery for bone and joint disorders.