Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P21333
UPID:
FLNA_HUMAN
Alternative names:
Actin-binding protein 280; Alpha-filamin; Endothelial actin-binding protein; Filamin-1; Non-muscle filamin
Alternative UPACC:
P21333; E9KL45; Q5HY53; Q5HY55; Q8NF52
Background:
Filamin-A, also known as Actin-binding protein 280, plays a pivotal role in cell structure and movement by promoting orthogonal branching of actin filaments and anchoring membrane glycoproteins to the actin cytoskeleton. It is essential for cell-cell contacts, blood vessel and heart development, and neuron migration.
Therapeutic significance:
Filamin-A is implicated in a range of diseases, including developmental disorders and skeletal dysplasias like Periventricular nodular heterotopia and Otopalatodigital syndromes. Understanding Filamin-A's functions could lead to novel therapeutic strategies for these conditions.