Focused On-demand Library for Girdin

Details

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q3V6T2

UPID:
GRDN_HUMAN

ALTERNATIVE NAMES:
Akt phosphorylation enhancer; Coiled-coil domain-containing protein 88A; G alpha-interacting vesicle-associated protein; Girders of actin filament; Hook-related protein 1

ALTERNATIVE UPACC:
Q3V6T2; A1IGE7; B7ZM78; C9JG83; Q53SF1; Q581G3; Q5HYD0; Q7Z339; Q7Z3C5

BACKGROUND:
Girdin, a multifunctional protein, is essential for cell migration, acting as a guanine nucleotide exchange factor and a guanine nucleotide dissociation inhibitor. It plays a key role in the AKT-mTOR signaling pathway, affecting neuron positioning and dendritic development. Girdin's ability to regulate DNA replication and cell proliferation through its interaction with EGFR and PI3K highlights its significance in cellular signaling.

THERAPEUTIC SIGNIFICANCE:
The association of Girdin with PEHO-like syndrome, a condition marked by microcephaly and hypotonia, underscores the therapeutic potential of targeting this protein. Exploring Girdin's functions could lead to breakthroughs in treating neurological and developmental disorders.

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