Focused On-demand Library for Hepatocyte nuclear factor 1-beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused 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 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

P35680

UPID:

HNF1B_HUMAN

Alternative names:

Homeoprotein LFB3; Transcription factor 2; Variant hepatic nuclear factor 1

Alternative UPACC:

P35680; B4DKM3; E0YMJ9

Background:

Hepatocyte nuclear factor 1-beta (HNF1B), also known as Homeoprotein LFB3, Transcription factor 2, and Variant hepatic nuclear factor 1, is a pivotal transcription factor. It binds to specific DNA sequences, influencing the expression of genes involved in developmental processes, including renal and genital tract development. Its activity is modulated by coactivators such as PCBD1, highlighting its complex role in cellular function.

Therapeutic significance:

HNF1B is implicated in several diseases, including Renal cysts and diabetes syndrome (MODY5), Type 2 diabetes mellitus, and hereditary Prostate cancer. These associations underline the protein's critical role in metabolic and developmental pathways, offering a promising target for therapeutic intervention in these conditions.