Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q05397
UPID:
FAK1_HUMAN
Alternative names:
Focal adhesion kinase-related nonkinase; Protein phosphatase 1 regulatory subunit 71; Protein-tyrosine kinase 2; p125FAK; pp125FAK
Alternative UPACC:
Q05397; B4E2N6; F5H4S4; J3QT16; Q14291; Q8IYN9; Q9UD85
Background:
Focal adhesion kinase 1 (FAK1), also known as Protein-tyrosine kinase 2, plays a pivotal role in cell migration, adhesion, and proliferation. It is essential for embryonic development, angiogenesis, heart development, and osteogenesis. FAK1 functions in signaling pathways downstream of growth factor receptors, GPCRs, and integrins, facilitating the activation of several key signaling cascades, including phosphatidylinositol 3-kinase/AKT1 and MAP kinase pathways.
Therapeutic significance:
Understanding the role of Focal adhesion kinase 1 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and cellular processes highlights its potential as a target for therapeutic intervention in diseases where these pathways are dysregulated.