Focused On-demand Library for Actin, aortic smooth muscle

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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

P62736

UPID:

ACTA_HUMAN

Alternative names:

Alpha-actin-2; Cell growth-inhibiting gene 46 protein

Alternative UPACC:

P62736; B2R8A4; P03996; P04108; Q6FI19

Background:

Actin, aortic smooth muscle, also known as Alpha-actin-2 and Cell growth-inhibiting gene 46 protein, plays a pivotal role in cell motility and is universally present in eukaryotic cells. Its involvement in various cellular functions underscores its importance in maintaining cellular integrity and function.

Therapeutic significance:

Actin, aortic smooth muscle, is implicated in diseases such as Aortic aneurysm, familial thoracic 6, Moyamoya disease 5, and Multisystemic smooth muscle dysfunction syndrome. These associations highlight the protein's critical role in vascular health and underscore the potential for targeted therapies to address these debilitating conditions.