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.
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.
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.
We use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O60674
UPID:
JAK2_HUMAN
Alternative names:
Janus kinase 2
Alternative UPACC:
O60674; O14636; O75297
Background:
Tyrosine-protein kinase JAK2, also known as Janus kinase 2, plays a pivotal role in cell growth, development, differentiation, and histone modifications. It is crucial in signaling for both innate and adaptive immunity, mediating signal transduction associated with various receptors, including growth hormone and erythropoietin receptors. JAK2's involvement in phosphorylating STAT proteins leads to gene transcription activation essential for various biological processes.
Therapeutic significance:
JAK2's mutation or dysfunction is linked to several hematopoietic disorders such as Polycythemia vera, Thrombocythemia, and Myelofibrosis, highlighting its role in cell proliferation and hematopoiesis. Understanding JAK2's mechanisms offers potential therapeutic strategies for these conditions, emphasizing the importance of targeted drug discovery efforts to modulate its activity.