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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
P15056
UPID:
BRAF_HUMAN
Alternative names:
Proto-oncogene B-Raf; p94; v-Raf murine sarcoma viral oncogene homolog B1
Alternative UPACC:
P15056; A4D1T4; B6HY61; B6HY62; B6HY63; B6HY64; B6HY65; B6HY66; Q13878; Q3MIN6; Q9UDP8; Q9Y6T3
Background:
Serine/threonine-protein kinase B-raf, also known as Proto-oncogene B-Raf, plays a pivotal role in mediating cell growth and division signals. It activates the MAP kinase signal transduction pathway, crucial for cell proliferation, differentiation, and survival. Its involvement in phosphorylating MAP2K1 and PFKFB2 underscores its significance in cellular signaling.
Therapeutic significance:
B-Raf's aberrant activity is linked to various cancers, including colorectal, lung, and non-Hodgkin lymphoma, highlighting its potential as a therapeutic target. Understanding B-Raf's role could pave the way for innovative treatments, particularly in cancers where it's implicated.