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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96T60
UPID:
PNKP_HUMAN
Alternative names:
DNA 5'-kinase/3'-phosphatase; Polynucleotide kinase-3'-phosphatase
Alternative UPACC:
Q96T60; Q9BUL2; Q9P1V2; Q9UKU8; Q9UNF8; Q9UNI0
Background:
The Bifunctional polynucleotide phosphatase/kinase, known as DNA 5'-kinase/3'-phosphatase, plays a crucial role in DNA repair. It operates within the non-homologous end-joining (NHEJ) and base excision repair (BER) pathways, ensuring DNA termini are prepared for extension and ligation by modifying the ribose sugar of the DNA backbone.
Therapeutic significance:
Linked to Microcephaly, seizures, and developmental delay, and Ataxia-oculomotor apraxia 4, understanding the role of Bifunctional polynucleotide phosphatase/kinase could open doors to potential therapeutic strategies for these neurodevelopmental and neurodegenerative disorders.