Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N165
UPID:
PDK1L_HUMAN
Alternative names:
PDLIM1-interacting kinase 1-like
Alternative UPACC:
Q8N165; B2R777; D3DPK2; Q5T2I0; Q8NDB3
Background:
Serine/threonine-protein kinase PDIK1L, also known as PDLIM1-interacting kinase 1-like, plays a crucial role in cellular signaling pathways. This kinase is involved in phosphorylating serine and threonine residues on target proteins, a process essential for regulating various cellular functions such as cell growth, differentiation, and apoptosis. The precise mechanisms and pathways involving PDIK1L are subjects of ongoing research, highlighting its potential significance in cellular biology.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase PDIK1L could open doors to potential therapeutic strategies. While direct associations with specific diseases are yet to be established, the kinase's fundamental role in critical cellular processes suggests its potential as a target for therapeutic intervention in conditions where these pathways are dysregulated.