Bardet-Biedl syndrome 10 protein

Bardet-Biedl syndrome 10 protein - Focused Library Design

Available from Reaxense

This protein is integrated into the Receptor.AI ecosystem as a prospective target with high therapeutic potential. We performed a comprehensive characterization of Bardet-Biedl syndrome 10 protein including:

1. LLM-powered literature research

Our custom-tailored LLM extracted and formalized all relevant information about the protein from a large set of structured and unstructured data sources and stored it in the form of a Knowledge Graph. This comprehensive analysis allowed us to gain insight into Bardet-Biedl syndrome 10 protein therapeutic significance, existing small molecule ligands, relevant off-targets, and protein-protein interactions.

Fig. 1. Preliminary target research workflow

2. AI-Driven Conformational Ensemble Generation

Starting from the initial protein structure, we employed advanced AI algorithms to predict alternative functional states of Bardet-Biedl syndrome 10 protein, including large-scale conformational changes along "soft" collective coordinates. Through molecular simulations with AI-enhanced sampling and trajectory clustering, we explored the broad conformational space of the protein and identified its representative structures. Utilizing diffusion-based AI models and active learning AutoML, we generated a statistically robust ensemble of equilibrium protein conformations that capture the receptor's full dynamic behavior, providing a robust foundation for accurate structure-based drug design.

Fig. 2. AI-powered molecular dynamics simulations workflow

3. Binding pockets identification and characterization

We employed the AI-based pocket prediction module to discover orthosteric, allosteric, hidden, and cryptic binding pockets on the protein’s surface. Our technique integrates the LLM-driven literature search and structure-aware ensemble-based pocket detection algorithm that utilizes previously established protein dynamics. Tentative pockets are then subject to AI scoring and ranking with simultaneous detection of false positives. In the final step, the AI model assesses the druggability of each pocket enabling a comprehensive selection of the most promising pockets for further targeting.

Fig. 3. AI-based binding pocket detection workflow

4. AI-Powered Virtual Screening

Our ecosystem is equipped to perform AI-driven virtual screening on Bardet-Biedl syndrome 10 protein. With access to a vast chemical space and cutting-edge AI docking algorithms, we can rapidly and reliably predict the most promising, novel, diverse, potent, and safe small molecule ligands of Bardet-Biedl syndrome 10 protein. This approach allows us to achieve an excellent hit rate and to identify compounds ready for advanced lead discovery and optimization.

Fig. 4. The screening workflow of Receptor.AI

Receptor.AI, in partnership with Reaxense, developed a next-generation technology for on-demand focused library design to enable extensive target exploration.

The focused library for Bardet-Biedl syndrome 10 protein 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.

Bardet-Biedl syndrome 10 protein

partner:

Reaxense

upacc:

Q8TAM1

UPID:

BBS10_HUMAN

Alternative names:

Alternative UPACC:

Q8TAM1; Q96CW2; Q9H5D2

Background:

The Bardet-Biedl syndrome 10 protein, encoded by the gene with accession number Q8TAM1, is implicated in a range of critical cellular processes. It functions as a probable molecular chaperone, facilitating protein folding upon ATP hydrolysis. This protein is pivotal in the assembly of the BBSome complex, essential for ciliogenesis and vesicle transport to cilia, and plays a significant role in adipogenic differentiation.

Therapeutic significance:

Given its involvement in Bardet-Biedl syndrome 10, a condition marked by severe pigmentary retinopathy, obesity, polydactyly, and other systemic manifestations, the Bardet-Biedl syndrome 10 protein represents a promising target for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies, particularly for tackling the multifaceted symptoms of Bardet-Biedl syndrome.