Focused On-demand Library for GTP-binding protein Di-Ras1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

O95057

UPID:

DIRA1_HUMAN

Alternative names:

Distinct subgroup of the Ras family member 1; Ras-related inhibitor of cell growth; Small GTP-binding tumor suppressor 1

Alternative UPACC:

O95057

Background:

GTP-binding protein Di-Ras1, also known as Distinct subgroup of the Ras family member 1, Ras-related inhibitor of cell growth, and Small GTP-binding tumor suppressor 1, is characterized by its low GTPase activity, predominantly existing in the GTP-bound form. This protein plays a crucial role in cellular processes by acting as a molecular switch within cells, toggling between active and inactive states to regulate various cellular functions.

Therapeutic significance:

Understanding the role of GTP-binding protein Di-Ras1 could open doors to potential therapeutic strategies. Its unique position in cellular signaling pathways makes it a compelling target for drug discovery efforts aimed at modulating its activity for therapeutic benefit.