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

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.