Focused On-demand Library for Gelsolin

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

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

 Fig. 1. The sreening 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.







Alternative names:

AGEL; Actin-depolymerizing factor; Brevin

Alternative UPACC:

P06396; A2A418; A8MUD1; A8MYN7; B7Z373; B7Z5V1; F5H1A8; Q5T0I2; Q8WVV7


Gelsolin, encoded by the gene with the accession number P06396, is a calcium-regulated, actin-modulating protein. It plays a crucial role in actin filament dynamics by binding to the plus ends of actin monomers or filaments, thus preventing monomer exchange and promoting filament assembly or severance. Gelsolin's involvement in ciliogenesis underscores its importance in cellular structure and motility.

Therapeutic significance:

Gelsolin is implicated in Amyloidosis 5, a hereditary condition characterized by amyloid deposition leading to a range of symptoms from cranial neuropathy to severe systemic diseases such as amyloid cardiomyopathy. Understanding the role of Gelsolin in this pathology could pave the way for innovative therapeutic strategies targeting the underlying molecular mechanisms.

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