Focused On-demand Library for Atlastin-1

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q8WXF7

UPID:

ATLA1_HUMAN

Alternative names:

Brain-specific GTP-binding protein; GTP-binding protein 3; Guanine nucleotide-binding protein 3; Spastic paraplegia 3 protein A

Alternative UPACC:

Q8WXF7; A6NND5; A8K2C0; G5E9T1; O95890; Q69YH7; Q96FK0

Background:

Atlastin-1, known for its roles in GTPase tethering membranes and endoplasmic reticulum tubular network biogenesis, is pivotal in cellular processes. Identified by alternative names such as Brain-specific GTP-binding protein and Spastic paraplegia 3 protein A, it underscores its significance in neurological pathways. Its involvement in Golgi biogenesis and axonal development further highlights its multifaceted functions in cellular architecture and signaling.

Therapeutic significance:

Atlastin-1's mutation is linked to Spastic paraplegia 3, autosomal dominant, and Neuropathy, hereditary sensory, 1D, underscoring its clinical relevance. Understanding Atlastin-1's role could pave the way for innovative treatments targeting these neurodegenerative disorders, offering hope for affected individuals through potential therapeutic strategies.