Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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
Receptor.AI
 
UPACC
P20823

UPID:
HNF1A_HUMAN

ALTERNATIVE NAMES:
Liver-specific transcription factor LF-B1; Transcription factor 1

ALTERNATIVE UPACC:
P20823; A5Z2R8; E0YMJ5; E0YMK0; E0YMK1; E2I9R4; E2I9R5; F5H5U3; Q2M3H2; Q99861

BACKGROUND:
The protein Hepatocyte nuclear factor 1-alpha, also known as Transcription factor 1, plays a crucial role in liver and pancreatic function through its transcriptional regulation of genes. It recognizes and binds to a specific DNA sequence, thereby activating the transcription of key enzymes involved in drug metabolism, such as CYP1A2, CYP2E1, and CYP3A11.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Hepatocyte nuclear factor 1-alpha could open doors to potential therapeutic strategies. Its involvement in diseases like familial Hepatic adenomas, Maturity-onset diabetes of the young 3, and Type 1 diabetes mellitus 20 positions it as a significant target for drug discovery efforts aimed at treating these conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.