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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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
Q9NZQ3
UPID:
SPN90_HUMAN
Alternative names:
54 kDa VacA-interacting protein; 54 kDa vimentin-interacting protein; 90 kDa SH3 protein interacting with Nck; AF3p21; Dia-interacting protein 1; Diaphanous protein-interacting protein; SH3 adapter protein SPIN90; WASP-interacting SH3-domain protein; Wiskott-Aldrich syndrome protein-interacting protein
Alternative UPACC:
Q9NZQ3; B4DFL5; Q6GU34; Q6SPF3; Q8TC10; Q9UGM8
Background:
The NCK-interacting protein with SH3 domain plays a pivotal role in cellular processes, including stress fiber formation, microspike formation, and actin polymerization. Known by various names such as Dia-interacting protein 1 and WASP-interacting SH3-domain protein, it interacts with components like DRF1 and N-WASP to influence cell adhesion and sarcomere maintenance.
Therapeutic significance:
Understanding the role of NCK-interacting protein with SH3 domain could open doors to potential therapeutic strategies.