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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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 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
O75417
UPID:
DPOLQ_HUMAN
Alternative names:
DNA polymerase eta
Alternative UPACC:
O75417; O95160; Q6VMB5
Background:
DNA polymerase theta, also known as DNA polymerase eta, plays a crucial role in DNA repair mechanisms, specifically through microhomology-mediated end-joining (MMEJ). This alternative repair pathway is activated in response to double-strand breaks, promoting genomic rearrangements and cellular transformation. Unlike most polymerases, it can extend ssDNA and pssDNA substrates, showcasing its versatility in DNA synthesis and repair.
Therapeutic significance:
Given its involvement in breast cancer pathogenesis, targeting DNA polymerase theta presents a promising avenue for therapeutic intervention. Its unique role in DNA repair pathways, especially in cells with compromised homology-recombination repair, highlights its potential as a novel target in cancer treatment strategies.