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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P49959
UPID:
MRE11_HUMAN
Alternative names:
Double-strand break repair protein MRE11A; Meiotic recombination 11 homolog 1; Meiotic recombination 11 homolog A
Alternative UPACC:
P49959; B3KTC7; O43475
Background:
Double-strand break repair protein MRE11, also known as Meiotic recombination 11 homolog A, is a crucial component of the MRN complex. This complex is pivotal in DNA repair processes, including double-strand break (DSB) repair, DNA recombination, and the maintenance of telomere integrity. MRE11's activities include single-strand endonuclease and double-strand-specific 3'-5' exonuclease functions, essential for genomic stability.
Therapeutic significance:
The protein's association with Ataxia-telangiectasia-like disorder 1, a condition marked by cerebellar ataxia and hypersensitivity to ionizing radiation, underscores its therapeutic significance. Understanding MRE11's role could pave the way for innovative treatments targeting DNA repair mechanisms.