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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O60336
UPID:
MABP1_HUMAN
Alternative names:
JNK-binding protein 1
Alternative UPACC:
O60336; A6NM93; A8K8P9; Q14CB5; Q14CD8; Q49AJ8; Q5W9G9
Background:
Mitogen-activated protein kinase-binding protein 1, also known as JNK-binding protein 1, plays a crucial role in cellular processes. It acts as a negative regulator of NOD2 function, down-regulating NOD2-induced activation of NF-kappa-B signaling, IL8 secretion, and antibacterial response. Additionally, it is involved in the JNK signaling pathway, highlighting its multifaceted role in cellular signaling networks.
Therapeutic significance:
The protein's association with Nephronophthisis 20, a chronic tubulo-interstitial nephritis leading to end-stage renal failure, underscores its clinical relevance. Understanding the role of Mitogen-activated protein kinase-binding protein 1 could open doors to potential therapeutic strategies for this renal disorder and possibly other related conditions.