Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P18858
UPID:
DNLI1_HUMAN
Alternative names:
DNA ligase I; Polydeoxyribonucleotide synthase [ATP] 1
Alternative UPACC:
P18858; B2RAI8; B4DTU4; Q2TB12; Q32P23
Background:
DNA ligase 1, also known as DNA ligase I and Polydeoxyribonucleotide synthase [ATP] 1, plays a pivotal role in DNA repair by sealing nicks in double-stranded DNA. It is also crucial in DNA replication and recombination processes, ensuring genomic stability and integrity. This enzyme's activity is essential for maintaining the cell's genetic information across generations.
Therapeutic significance:
DNA ligase 1's involvement in Immunodeficiency 96, a disorder characterized by recurrent infections and hypogammaglobulinemia, highlights its therapeutic potential. Targeting DNA ligase 1 could lead to innovative treatments for genetic disorders where DNA repair mechanisms are compromised, offering hope for patients with such challenging conditions.