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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P36897
UPID:
TGFR1_HUMAN
Alternative names:
Activin A receptor type II-like protein kinase of 53kD; Activin receptor-like kinase 5; Serine/threonine-protein kinase receptor R4; TGF-beta type I receptor; Transforming growth factor-beta receptor type I
Alternative UPACC:
P36897; Q6IR47; Q706C0; Q706C1
Background:
TGF-beta receptor type-1, also known as Activin receptor-like kinase 5, plays a pivotal role in cellular processes by mediating TGF-beta cytokines TGFB1, TGFB2, and TGFB3 signals. This transmembrane serine/threonine kinase, in concert with TGFBR2, regulates cell cycle, wound healing, immunosuppression, and more through both canonical SMAD-dependent and non-canonical signaling pathways.
Therapeutic significance:
Linked to Loeys-Dietz syndrome 1 and Multiple self-healing squamous epithelioma, TGF-beta receptor type-1's involvement in these diseases underscores its potential as a therapeutic target. Understanding its role could lead to novel treatments for these and related conditions.