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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6PJP8
UPID:
DCR1A_HUMAN
Alternative names:
Beta-lactamase DCLRE1A; SNM1 homolog A
Alternative UPACC:
Q6PJP8; D3DRC1; Q14701; Q6P5Y3; Q6PKL4
Background:
The DNA cross-link repair 1A protein, also known as Beta-lactamase DCLRE1A or SNM1 homolog A, plays a crucial role in DNA interstrand cross-link repair and cell cycle arrest in response to mitotic spindle poisons. It exhibits beta-lactamase activity, specifically hydrolyzing penicillin G and nitrocefin, while showing no activity towards other beta-lactam antibiotics like cephalosporins and carbapenems.
Therapeutic significance:
Understanding the role of DNA cross-link repair 1A protein could open doors to potential therapeutic strategies.