Focused On-demand Library for Ras-related protein Rab-1A

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
P62820

UPID:
RAB1A_HUMAN

ALTERNATIVE NAMES:
YPT1-related protein

ALTERNATIVE UPACC:
P62820; P11476; Q6FIE7; Q96N61; Q9Y3T2

BACKGROUND:
The small GTPases Rab, with Ras-related protein Rab-1A at the forefront, are key regulators of the intracellular membrane trafficking process. This protein ensures the efficient transport of vesicles by cycling between an inactive and an active state, which allows it to recruit downstream effectors essential for vesicle dynamics. Rab-1A specifically regulates the transport pathway from the endoplasmic reticulum through the Golgi to the cell surface, impacting crucial processes such as IL-8 secretion, growth hormone release, Golgi structure, CASR cell membrane levels, and cellular responses to bacterial invasion. Its role extends to cell adhesion, migration, and autophagosome assembly, highlighting its importance in cellular physiology.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ras-related protein Rab-1A could open doors to potential therapeutic strategies.

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