Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q7Z6J6
UPID:
FRMD5_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z6J6; Q8NBG4
Background:
FERM domain-containing protein 5 plays a pivotal role in cellular processes, including cell migration and cell-matrix interactions. It interacts with ITGB5, influencing ITGB5 cytoplasmic tail interactions with FERMT2 and TLN1. Additionally, it may modulate ROCK1 kinase activity, which is crucial for actin stress fiber formation.
Therapeutic significance:
Linked to a neurodevelopmental disorder characterized by developmental delay, intellectual disability, and eye movement abnormalities, FERM domain-containing protein 5's understanding could pave the way for novel therapeutic approaches.