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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q01543
UPID:
FLI1_HUMAN
Alternative names:
Proto-oncogene Fli-1; Transcription factor ERGB
Alternative UPACC:
Q01543; B2R8H2; B4DFV4; B4DTC6; G3V183; Q14319; Q92480; Q9UE07
Background:
Friend leukemia integration 1 transcription factor (FLI1), also known as Proto-oncogene Fli-1 and Transcription factor ERGB, is a sequence-specific transcriptional activator. It recognizes the DNA sequence 5'-C[CA]GGAAGT-3', playing a crucial role in gene expression regulation.
Therapeutic significance:
FLI1 is implicated in the pathogenesis of Ewing sarcoma, a highly malignant tumor affecting children and adolescents, through a chromosomal aberration. Additionally, it is associated with Bleeding disorder, platelet-type, 21, characterized by increased bleeding tendency. Targeting FLI1 could offer novel therapeutic approaches for these conditions.