Focused On-demand Library for Protein PTHB1

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q3SYG4

UPID:

PTHB1_HUMAN

Alternative names:

Bardet-Biedl syndrome 9 protein; Parathyroid hormone-responsive B1 gene protein

Alternative UPACC:

Q3SYG4; E9PDC9; P78514; Q7KYS6; Q7KYS7; Q8N570; Q99844; Q99854; Q9Y699; Q9Y6A0

Background:

The Protein PTHB1, also known as Bardet-Biedl syndrome 9 protein, plays a pivotal role in the BBSome complex, crucial for sorting specific membrane proteins to the primary cilia. Its involvement in ciliogenesis and the assembly of the BBSome complex underscores its importance in cellular functions and signaling pathways.

Therapeutic significance:

Given its critical role in Bardet-Biedl syndrome 9, characterized by severe pigmentary retinopathy, obesity, and other systemic manifestations, targeting Protein PTHB1 offers a promising avenue for therapeutic intervention. Understanding the role of Protein PTHB1 could open doors to potential therapeutic strategies.