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.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P58753
UPID:
TIRAP_HUMAN
Alternative names:
Adaptor protein Wyatt; MyD88 adapter-like protein
Alternative UPACC:
P58753; B3KW65; Q56UH9; Q56UI0; Q8N5E5
Background:
The Toll/interleukin-1 receptor domain-containing adapter protein, also known as Adaptor protein Wyatt or MyD88 adapter-like protein, plays a pivotal role in the innate immune response. It is an adapter in TLR2, TLR4, and RAGE signaling pathways, facilitating the activation of NF-kappa-B, MAPK1, MAPK3, and JNK. This leads to cytokine secretion and the inflammatory response, with a positive regulation of TNF-alpha and interleukin-6 production.
Therapeutic significance:
Understanding the role of Toll/interleukin-1 receptor domain-containing adapter protein could open doors to potential therapeutic strategies.