Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
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:
Hepatocyte nuclear factor 1-alpha (HNF1A) serves as a pivotal transcriptional activator, regulating the expression of genes critical for pancreatic islet cells and liver function. It specifically binds to a unique inverted palindrome sequence, influencing the transcription of genes like CYP1A2, CYP2E1, and CYP3A11. Its alternative names include Liver-specific transcription factor LF-B1 and Transcription factor 1.
Therapeutic significance:
HNF1A is directly implicated in the pathogenesis of Hepatic adenomas familial, Maturity-onset diabetes of the young 3, and Type 1 diabetes mellitus 20. These associations highlight its potential as a target for therapeutic intervention in liver tumors and various forms of diabetes, underscoring the importance of understanding its biological mechanisms.