Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 employ our advanced, specialised process to create targeted 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
P11277
UPID:
SPTB1_HUMAN
Alternative names:
Beta-I spectrin
Alternative UPACC:
P11277; Q15510; Q15519
Background:
The Spectrin beta chain, erythrocytic, also known as Beta-I spectrin, plays a pivotal role in maintaining the structural integrity and stability of erythrocyte plasma membranes. It is a key component of the cytoskeletal network, interacting with band 4.1 and actin to support the erythrocyte's biconcave shape.
Therapeutic significance:
Mutations in the Spectrin beta chain are linked to Elliptocytosis 3 and Spherocytosis 2, hematologic disorders characterized by abnormal erythrocyte shapes leading to hemolytic anemia. Understanding the role of Spectrin beta chain, erythrocytic could open doors to potential therapeutic strategies for these conditions.