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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95835
UPID:
LATS1_HUMAN
Alternative names:
Large tumor suppressor homolog 1; WARTS protein kinase
Alternative UPACC:
O95835; Q6PKD0
Background:
Serine/threonine-protein kinase LATS1, also known as Large tumor suppressor homolog 1 or WARTS protein kinase, is a key regulator in the Hippo signaling pathway. This pathway is crucial for organ size control, tumor suppression, and cellular processes including proliferation, apoptosis, and cell migration. LATS1 functions by inhibiting the YAP1 oncoprotein, thereby preventing its nuclear translocation and the subsequent regulation of genes critical for cell cycle progression. Additionally, LATS1 plays a role in maintaining ploidy, regulating G2/M transition, and affecting cytokinesis through actin polymerization.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase LATS1 could open doors to potential therapeutic strategies.