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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 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
Q14191
UPID:
WRN_HUMAN
Alternative names:
DNA helicase, RecQ-like type 3; RecQ protein-like 2; Werner syndrome protein
Alternative UPACC:
Q14191; A1KYY9
Background:
The Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, also known as Werner syndrome protein, plays a crucial role in maintaining genomic integrity. It exhibits both magnesium and ATP-dependent DNA-helicase activity and 3'->5' exonuclease activity, targeting double-stranded DNA with a 5'-overhang. This protein is pivotal in the dissociation of joint DNA molecules, aiding in homologous recombination, stalled replication forks, and DNA repair processes.
Therapeutic significance:
WRN's involvement in Werner syndrome and Colorectal cancer highlights its therapeutic significance. Werner syndrome, a progeroid syndrome, and Colorectal cancer, a common malignancy, are linked to variants affecting the WRN gene. Understanding WRN's role could lead to novel therapeutic strategies for these conditions.