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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9H0U4

UPID:

RAB1B_HUMAN

Alternative names:

Alternative UPACC:

Q9H0U4; A8K7S1

Background:

Ras-related protein Rab-1B is a pivotal regulator of intracellular membrane trafficking, influencing the formation, movement, and fusion of transport vesicles. It operates by cycling between an inactive GDP-bound form and an active GTP-bound form, which recruits various effectors for vesicle dynamics. This protein is instrumental in autophagic vacuole development at the endoplasmic reticulum and modulates transport between the endoplasmic reticulum and Golgi compartments.

Therapeutic significance:

Understanding the role of Ras-related protein Rab-1B could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as autophagy and vesicular transport highlights its potential as a target for modulating these pathways in disease contexts.