Focused On-demand Library for Nonsense-mediated mRNA decay factor SMG8

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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.

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

Q8ND04

UPID:

SMG8_HUMAN

Alternative names:

Amplified in breast cancer gene 2 protein; Protein smg-8 homolog

Alternative UPACC:

Q8ND04; Q8N5U5; Q8TDN0; Q9H5P5; Q9NVQ1

Background:

Nonsense-mediated mRNA decay factor SMG8, also known as Amplified in breast cancer gene 2 protein and Protein smg-8 homolog, plays a crucial role in the nonsense-mediated decay (NMD) pathway. This pathway is essential for the degradation of mRNAs containing premature stop codons, thereby preventing the synthesis of truncated and potentially harmful proteins. SMG8, in conjunction with SMG1 and SMG9, forms the SMG1C protein kinase complex, which is pivotal in regulating the NMD process.

Therapeutic significance:

The association of SMG8 with Alzahrani-Kuwahara syndrome, a disorder marked by developmental delays, intellectual impairment, and various physical anomalies, underscores its therapeutic significance. Understanding the role of SMG8 could open doors to potential therapeutic strategies for this syndrome and other NMD-related disorders.