Focused On-demand Library for Programmed cell death protein 10

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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9BUL8

UPID:

PDC10_HUMAN

Alternative names:

Cerebral cavernous malformations 3 protein; TF-1 cell apoptosis-related protein 15

Alternative UPACC:

Q9BUL8; A8K515; D3DNN5; O14811

Background:

Programmed cell death protein 10, also known as Cerebral cavernous malformations 3 protein, plays a pivotal role in cell proliferation, apoptosis modulation, and MAP kinase activity enhancement. It is crucial for cell migration, Golgi complex structure, and KDR/VEGFR2 signaling, impacting cardiovascular development and embryonic angiogenesis.

Therapeutic significance:

Linked to Cerebral cavernous malformations 3, a condition causing hemorrhagic stroke and seizures, understanding Programmed cell death protein 10's role could lead to novel therapeutic strategies for vascular anomalies in the central nervous system.