Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
P17948

UPID:
VGFR1_HUMAN

ALTERNATIVE NAMES:
Fms-like tyrosine kinase 1; Tyrosine-protein kinase FRT; Tyrosine-protein kinase receptor FLT; Vascular permeability factor receptor

ALTERNATIVE UPACC:
P17948; A3E342; A3E344; A8KA71; B0LPF1; B2BF46; B2BF47; B2BF48; B3FR89; B5A923; F5H5L6; O60722; P16057; Q12954

BACKGROUND:
The Vascular endothelial growth factor receptor 1, with alternative names such as Tyrosine-protein kinase FRT and Vascular permeability factor receptor, is integral to vascular development and angiogenesis. It regulates endothelial cell functions through high-affinity binding to VEGFA and modulates signaling cascades essential for cell proliferation, survival, and migration. Its involvement in macrophage function and cancer cell invasion highlights its significance in both physiological and pathological processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted role of Vascular endothelial growth factor receptor 1 offers a promising avenue for developing novel therapeutic interventions.

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