Focused On-demand Library for Sterile alpha motif domain-containing protein 9

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.

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 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 use our state-of-the-art dedicated workflow for designing focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q5K651

UPID:

SAMD9_HUMAN

Alternative names:

Alternative UPACC:

Q5K651; A2RU68; Q5K649; Q6P080; Q75N21; Q8IVG6; Q9NXS8

Background:

Sterile alpha motif domain-containing protein 9 (SAMD9) is pivotal in antiviral defense, inflammation response, and possibly in preventing abnormal calcification, as suggested by its role in cytoplasmic antiviral granules formation and TNF-alpha signaling pathway. Its interaction with EGR1 and RGL2 indicates a broader regulatory function in cellular processes.

Therapeutic significance:

SAMD9 mutations are linked to severe disorders such as familial tumoral calcinosis, MIRAGE syndrome, and monosomy 7 myelodysplasia and leukemia syndrome 2. These associations underline the protein's critical role in disease mechanisms, offering a promising avenue for therapeutic interventions targeting SAMD9-related pathways.