Focused On-demand Library for Rac GTPase-activating protein 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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
Receptor.AI
 
UPACC
Q9H0H5

UPID:
RGAP1_HUMAN

ALTERNATIVE NAMES:
Male germ cell RacGap; Protein CYK4 homolog

ALTERNATIVE UPACC:
Q9H0H5; Q6PJ26; Q9NWN2; Q9P250; Q9P2W2

BACKGROUND:
Rac GTPase-activating protein 1 is integral to cytokinesis, erythropoiesis, and cell differentiation, acting through the centralspindlin complex and exhibiting strong GAP activity towards CDC42 and RAC1. Its roles extend to adipocyte and myoblast growth processes, spermatogenesis, neuronal proliferation, and embryogenesis, indicating its broad impact on cellular function and development.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in congenital dyserythropoietic anemia, 3B, autosomal recessive, Rac GTPase-activating protein 1 represents a promising target for therapeutic intervention. Exploring its functions further could lead to breakthroughs in treating hematologic conditions and enhancing our understanding of cell cycle regulation.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 1104 of 8789