Focused On-demand Library for Piezo-type mechanosensitive ion channel component 1

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.

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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q92508

UPID:

PIEZ1_HUMAN

Alternative names:

Membrane protein induced by beta-amyloid treatment; Protein FAM38A

Alternative UPACC:

Q92508; A6NHT9; A7E2B7; Q0KKZ9

Background:

Piezo-type mechanosensitive ion channel component 1, also known as Protein FAM38A, plays a pivotal role in mechanotransduction, the process by which cells convert mechanical stimuli into chemical activity. This protein forms a pore for non-specific cation channels, sensitive to mechanical forces, and is crucial for various physiological processes including epithelial cell adhesion, kidney function, and vascular development.

Therapeutic significance:

Linked to diseases such as Dehydrated hereditary stomatocytosis 1 and Lymphatic malformation 6, understanding the role of Piezo-type mechanosensitive ion channel component 1 could open doors to potential therapeutic strategies. Its involvement in erythrocyte dehydration and lymphatic dysplasia highlights its potential as a target for therapeutic intervention.