Focused On-demand Library for Guanine nucleotide exchange protein SMCR8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.

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

Q8TEV9

UPID:

SMCR8_HUMAN

Alternative names:

Smith-Magenis syndrome chromosomal region candidate gene 8 protein

Alternative UPACC:

Q8TEV9; A5PKZ5; Q3ZCN0; Q6PJL3

Background:

The Guanine nucleotide exchange protein SMCR8, identified by its alternative name Smith-Magenis syndrome chromosomal region candidate gene 8 protein, plays a pivotal role in cellular processes. It is a crucial component of the C9orf72-SMCR8 complex, exhibiting guanine nucleotide exchange factor (GEF) activity and regulating autophagy. This complex is instrumental in converting GDP-bound RAB8A and RAB39B into their active GTP-bound forms, facilitating autophagosome maturation. Additionally, it acts as a negative regulator of autophagy initiation and is involved in mTORC1 signaling regulation.

Therapeutic significance:

Understanding the role of Guanine nucleotide exchange protein SMCR8 could open doors to potential therapeutic strategies.