Focused On-demand Library for Pappalysin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

Q13219

UPID:

PAPP1_HUMAN

Alternative names:

Insulin-like growth factor-dependent IGF-binding protein 4 protease; Pregnancy-associated plasma protein A

Alternative UPACC:

Q13219; B1AMF9; Q08371; Q68G52; Q9UDK7

Background:

Pappalysin-1, also known as Insulin-like growth factor-dependent IGF-binding protein 4 protease and Pregnancy-associated plasma protein A, plays a crucial role in the regulation of insulin-like growth factor (IGF) bioavailability. By specifically cleaving IGFBP-4 and IGFBP-5, it modulates the release of bound IGF, which is essential for various physiological processes. The activity towards IGFBP-4 is significantly enhanced in the presence of IGF, showcasing a unique regulatory mechanism.

Therapeutic significance:

Understanding the role of Pappalysin-1 could open doors to potential therapeutic strategies. Its pivotal function in modulating IGF bioavailability suggests its involvement in critical biological pathways, offering a promising target for drug discovery efforts aimed at treating metabolic disorders and enhancing tissue regeneration.