Focused On-demand Library for Peroxisomal membrane protein PEX16

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.

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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Reaxense

upacc

Q9Y5Y5

UPID:

PEX16_HUMAN

Alternative names:

Peroxin-16; Peroxisomal biogenesis factor 16

Alternative UPACC:

Q9Y5Y5; Q9BWB9

Background:

Peroxisomal membrane protein PEX16, also known as Peroxin-16 and Peroxisomal biogenesis factor 16, plays a crucial role in peroxisome membrane biogenesis. It is instrumental in the early stages of peroxisome assembly, facilitating the recruitment of other peroxisomal proteins such as PEX3 and PMP34 from the endoplasmic reticulum to form new peroxisomes.

Therapeutic significance:

PEX16 is linked to a spectrum of peroxisome biogenesis disorders, including Zellweger syndrome, neonatal adrenoleukodystrophy, and infantile Refsum disease. These conditions underscore the protein's critical function in cellular health. Understanding the role of PEX16 could open doors to potential therapeutic strategies for these life-altering disorders.