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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15797
UPID:
SMAD1_HUMAN
Alternative names:
JV4-1; Mad-related protein 1; SMAD family member 1; Transforming growth factor-beta-signaling protein 1
Alternative UPACC:
Q15797; A8KAJ0; D3DNZ9; Q16636; Q9UFT8
Background:
Mothers against decapentaplegic homolog 1 (SMAD1), also known as JV4-1, Mad-related protein 1, and Transforming growth factor-beta-signaling protein 1, is a transcriptional modulator pivotal in cellular processes such as embryonic development, cell differentiation, and tissue homeostasis. It is activated upon BMP ligand binding, leading to its phosphorylation by BMP receptors, and forms a complex with SMAD4 that enters the nucleus to act as a transcription factor.
Therapeutic significance:
Understanding the role of Mothers against decapentaplegic homolog 1 could open doors to potential therapeutic strategies.