Focused On-demand Library for Mothers against decapentaplegic homolog 9

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 Reaxense.


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 top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
O15198

UPID:
SMAD9_HUMAN

ALTERNATIVE NAMES:
Madh6; SMAD family member 9

ALTERNATIVE UPACC:
O15198; A2A2Y6; O14989; Q5TBA1

BACKGROUND:
The protein Mothers against decapentaplegic homolog 9, or SMAD9, functions as a key transcriptional modulator within the BMP signaling pathway. Known alternatively as Madh6, SMAD9's activation by BMP type 1 receptor kinase underscores its integral role in regulating gene expression critical for development and cellular differentiation.

THERAPEUTIC SIGNIFICANCE:
Given SMAD9's critical role in the pathogenesis of Pulmonary hypertension, primary, 2, through plexiform lesions in pulmonary arterioles, it represents a promising target for therapeutic intervention. The exploration of SMAD9's function and mechanisms offers a pathway to innovative treatments for this and potentially other related diseases.

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