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.
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.
We employ our advanced, specialised process to create 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q7RTS3
UPID:
PTF1A_HUMAN
Alternative names:
Class A basic helix-loop-helix protein 29; Pancreas-specific transcription factor 1a; bHLH transcription factor p48; p48 DNA-binding subunit of transcription factor PTF1
Alternative UPACC:
Q7RTS3; Q9HC25
Background:
Pancreas transcription factor 1 subunit alpha, also known as PTF1A, plays a pivotal role in pancreas development and differentiation. It binds to E-box consensus sequences, influencing cell fate in various organs. PTF1A is crucial for the formation of pancreatic acinar and ductal cells and has a significant role in cerebellar development.
Therapeutic significance:
PTF1A is linked to Pancreatic and cerebellar agenesis and Pancreatic agenesis 2, diseases characterized by diabetes mellitus and pancreatic insufficiency. Understanding PTF1A's role could unveil new therapeutic strategies for these conditions.