 Contract Research |
 Compound Libraries |
 Software Solutions |
 Services |
MolMo Services is a service-oriented company that provides contract research into new or existing drug design targets. We can make your own research results more effective by providing the means to synthesize novel drug candidates much more rapidly and reliably. MolMo Services has developed a proprietary API and an extensive library of software tools for the invention of these new active compounds or for the optimization of existing compounds. Our team consists of the four founders of the company, all with an proven expertise in the field of computational chemistry, software development, and drug design.
Our Contract research offering focusses on three core capabilities:
Protein Modeling
In many situations a target enzyme for a specific disease or a metabolic
target has been identified, but the 3D structure of the target is not
available for drug design. MolMo Services has extensive experience
in generating reliable 3D structures for such targets and offers both
the generated protein models for the modeling department of the customer,
and the possibility to use our computational chemistry service center
utilizing these models. At present a wide range of targets is available
for such studies, for instance for Hepatitis C Protease, Cyclin-Dependent
Kinases, β-Secretase and ATPases. Furthermore, new pharmaceutically
relevant targets are added through our own research projects continuously.
Some Examples of
proprietary and
other protein models MolMo Services has generated are available here.
Structure-Based Activity Prediction
The three-dimensional structure of a drug target interacting with small
molecules can be used for the development of new active compounds or for
the optimization of an existing compound. MolMo Services has developed a
proprietary API and an extensive collection
of software tools to accomplish this. Applications such as active
site detection, conformational analysis, docking, geometry optimization,
dynamics and even automated model development are used to
discover new compounds that interact with the selected drug target.
Furthermore, the compounds selected for high activity have also been
optimized for their synthetic accessibility through our
SYNOPSIS
application.
Some Examples of activity prediction
and off-the-shelf predictive models for drug design
or library screening are shown here.
Of course, MolMo Services can also develop a proprietary model for your
preferred target system. Please contact us here for more information.
Ligand-Based Activity Prediction
A continuous demand exists for novel bioactive molecules. When a lead structure has been discovered and looks promising
for further development, series of analogues will be made. Normally, the synthesis of many compounds is required to improve
on the activity, or to keep good activity while optimising other properties of relevance. A computational model that
accurately predicts the activity of derivatives before their synthesis is beneficial to the speed and cost of
lead optimisation. It can be advantageous when such a model does not require information on the target protein structure.
For this situation MolMo Services has developed the NSGASEAL
application. This program can be used as driving
function in SYNOPSIS to generate
new scaffolds or analogs based on information from one ore more lead compounds.
An illustration of an
interactive application of the NSGASEAL method
method is shown here.