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 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UGN5
UPID:
PARP2_HUMAN
Alternative names:
ADP-ribosyltransferase diphtheria toxin-like 2; DNA ADP-ribosyltransferase PARP2; NAD(+) ADP-ribosyltransferase 2; Poly[ADP-ribose] synthase 2; Protein poly-ADP-ribosyltransferase PARP2
Alternative UPACC:
Q9UGN5; Q8TEU4; Q9NUV2; Q9UMR4; Q9Y6C8
Background:
Poly [ADP-ribose] polymerase 2 (PARP2), also known as ADP-ribosyltransferase diphtheria toxin-like 2, plays a pivotal role in DNA repair. It mediates poly-ADP-ribosylation of proteins, crucial for responding to DNA damage. PARP2's activity involves the transfer of ADP-ribosyl groups to target proteins, facilitating the repair of double-strand DNA breaks by promoting chromatin decompaction and recruitment of repair factors.
Therapeutic significance:
Understanding the role of Poly [ADP-ribose] polymerase 2 could open doors to potential therapeutic strategies.