Focused On-demand Library for Baculoviral IAP repeat-containing protein 5

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 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

O15392

UPID:

BIRC5_HUMAN

Alternative names:

Apoptosis inhibitor 4; Apoptosis inhibitor survivin

Alternative UPACC:

O15392; A2SUH6; B2R4R1; Q2I3N8; Q4VGX0; Q53F61; Q5MGC6; Q6FHL2; Q75SP2; Q9P2W8

Background:

Baculoviral IAP repeat-containing protein 5, also known as Apoptosis inhibitor survivin, plays a pivotal role in cell cycle regulation by promoting cell proliferation and inhibiting apoptosis. It is a key component of the chromosome passage protein complex, essential for chromosome alignment and segregation during mitosis and cytokinesis. This protein also contributes to mitotic spindle formation and maintains mitochondrial integrity and function.

Therapeutic significance:

Understanding the role of Baculoviral IAP repeat-containing protein 5 could open doors to potential therapeutic strategies. Its involvement in cell proliferation and apoptosis prevention highlights its potential as a target in cancer therapy, where regulation of these processes is often disrupted.