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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P78504
UPID:
JAG1_HUMAN
Alternative names:
-
Alternative UPACC:
P78504; A0AV43; B4DYR1; E9PCF9; O14902; O15122; Q15816
Background:
Protein jagged-1, encoded by the gene with accession number P78504, plays a pivotal role in Notch signaling, influencing cell fate decisions during hematopoiesis, cardiovascular development, and myoblast differentiation. Its involvement extends to enhancing angiogenesis in conjunction with fibroblast growth factors.
Therapeutic significance:
Given its crucial role in diseases such as Alagille syndrome 1, Tetralogy of Fallot, congenital heart defects with deafness, and Charcot-Marie-Tooth disease 2HH, targeting Protein jagged-1 offers a promising avenue for therapeutic interventions in these multifaceted conditions.