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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13361
UPID:
MFAP5_HUMAN
Alternative names:
MP25; Microfibril-associated glycoprotein 2
Alternative UPACC:
Q13361; B0AZL6; D3DUV1; Q7Z490
Background:
Microfibrillar-associated protein 5 (MFAP5), also known as MP25 or Microfibril-associated glycoprotein 2, plays a crucial role in the cardiovascular system and hematopoiesis. It is a component of the elastin-associated microfibrils, essential for maintaining large vessel integrity through regulation of growth factors and cell signaling.
Therapeutic significance:
MFAP5's involvement in familial thoracic aortic aneurysm 9, characterized by permanent dilation of the thoracic aorta, highlights its potential as a therapeutic target. Understanding MFAP5's role could pave the way for innovative treatments for vascular diseases.