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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing 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
Q86US8
UPID:
EST1A_HUMAN
Alternative names:
Ever shorter telomeres 1A; Nonsense mediated mRNA decay factor SMG6; Smg-6 homolog; hSmg5/7a
Alternative UPACC:
Q86US8; B7Z874; O94837; Q86VH6; Q9UF60
Background:
Telomerase-binding protein EST1A, also known as Ever shorter telomeres 1A, plays a crucial role in the replication of chromosome termini by being a component of the telomerase ribonucleoprotein complex. It binds to specific telomeric DNA sequences, promoting telomere elongation and has a role in telomere regulation. Additionally, EST1A is involved in nonsense-mediated mRNA decay (NMD), serving as a link to the mRNA degradation machinery and degrading single-stranded RNA.
Therapeutic significance:
Understanding the role of Telomerase-binding protein EST1A could open doors to potential therapeutic strategies.