Focused On-demand Library for Nonsense-mediated mRNA decay factor SMG9

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q9H0W8

UPID:

SMG9_HUMAN

Alternative names:

Alternative UPACC:

Q9H0W8; O60429; Q9H9A9

Background:

Nonsense-mediated mRNA decay factor SMG9 plays a crucial role in the cellular mechanism known as nonsense-mediated decay (NMD), targeting mRNAs with premature stop codons for degradation. This process is vital for maintaining the integrity of genetic information by preventing the translation of potentially harmful truncated proteins. SMG9, as part of the SMG1C protein kinase complex, is essential for the recruitment of release factors to stalled ribosomes, facilitating the efficient association between SMG1 and SMG8.

Therapeutic significance:

Understanding the role of Nonsense-mediated mRNA decay factor SMG9 could open doors to potential therapeutic strategies. Its involvement in heart and brain malformation syndrome, characterized by multiple congenital anomalies, and a neurodevelopmental disorder with intention tremor and dyspraxia, highlights its significance in human health. Targeting SMG9 or its pathway could offer new avenues for treating these complex disorders.