AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Fibulin-5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our associate 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 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.

partner

Reaxense

upacc

Q9UBX5

UPID:

FBLN5_HUMAN

Alternative names:

Developmental arteries and neural crest EGF-like protein; Urine p50 protein

Alternative UPACC:

Q9UBX5; O75966; Q6IAL4; Q6UWA3

Background:

Fibulin-5, also known as Developmental arteries and neural crest EGF-like protein, plays a crucial role in elastic fiber formation. It facilitates the assembly of elastin polymers and enhances microfibril interaction, essential for skin, lung, and vascular integrity. Its interaction with integrins underscores its significance in endothelial cell adhesion and vascular development.

Therapeutic significance:

Fibulin-5's involvement in diseases such as Charcot-Marie-Tooth disease, Cutis laxa, and age-related macular degeneration highlights its therapeutic potential. Understanding Fibulin-5's role could pave the way for innovative treatments targeting these conditions, emphasizing the importance of research in uncovering novel therapeutic strategies.

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