What is SIMScells MoA?SIMScells MoA is a service offered by SIMScells which, through the analysis of in silico models, generates mechanistic hypothe-ses that link certain genes, proteins or drugs with known physiological or pathophysiological pathways based on the holistic analysis of biological networks.

These hypotheses, termed “mechanisms of action” (MoA), are depicted as graphical representations where nodes are genes or proteins and lines show the relationship between them.

Non-obvious, innovative results

Predictive and comprehensive MoA models

Easy-to-read graphical representations

SIMScells reports: MECHANISM OF ACTION

Your mechanism of action at a few clicksObtaining a MoA from SIMScells is surprisingly intuitive: just enter the website and follow the steps below:

SIMScells MoA allows you to understand …

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Create your experiment: choose the stimulus, the response and the biological system

Wait while SIMScell generates a virtual model and runs the experimental simulation

Download the report and analyse the mechanisms of action proposed by the model

Identify the efficacy and safety issues of clinical relevance for your drug

Understand how your drug exerts its action in the human body

Discover where to focus monitoring efforts in clinical and preclinical studies

Identify the molecular mechanisms involved in complex diseases

Understand of the role of a therapeutic target in human diseases

Discover new, non-obvious points of intervention to treat diseases

How can I better understand the pathogenesis of a disease or a

physiological situation?

Why is a therapeutic target useful for the disease under study? Why is

it causing a safety issue?

Pathological situations Drug's mechanism of action

Stimulus

Response

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… leads to a response

The stimulus ...

... through a mechanism of action ...

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SIMSCELLS

MoA report contentsWhen the in silico analysis is over, SIMScells generates a report containing the results of the experiment that includes:

Population analysis: evaluation and clustering of all the possible MoAs proposed by the model

Global MoA representation: a simplified graphical view of a general MoA that fits with most of the proposed MoA solutions

Cluster representations: Explore the potential MoA diversity of your biological response. In addition to a global MoA, SIMScells represents and details the most relevant proposed MoA variations

Adverse events evaluation: potential clinical side effects associated to a each MoA

A step closer to research publication SIMScells is an online tool developed BY researchers FOR researchers. We know how important it is for you to share your research results with the scientific community. Therefore, we have specifically designed our software to make this process easier.

Understand your data in the context of up-to-date scientific knowledge

Find out interesting, non-obvious hypotheses to enrich the “Discussion” section

Add plots, lists and figures from the reports directly to your article

Test our hypotheses in your lab and expand the horizons of your research

Contact us: We are pleased to answer your questions and requests.

Experiment Highlights:You can customize the virtual models by adding data from your own experiments or testing new hypotheses

Specify genes or proteins of interest and monitor them in the MoA

Once you get a SIMScells predicted MoA you will probably want to validate experimentally or bibli-ographically some of the interactions and proteins/genes activity changes. To facilitate this process, SIMScells offers you the MoA Extended report, which collects detailed information about the proteins/genes present in a MoA and some associated wet lab reagents:

Node activity details

Link sources

Experimental markers like:

Enzymatic activities

In vivo activity markers

Available antibodies

Useful chemical compounds

Extra I

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How to continue? The MoA Extended Report

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