drug2drugs
![](/46/pdcnewsitem/12/17/83/drug%20to%20drugs.png)
OSAKA, Japan –With the aim to increase your success rate in drug discovery, Fujifilm
has developed drug discovery
support service drug2drugs which utilizes AI-AAM®, an Artificial Intelligence and Chemical Simulation-based
Amino-Acid Mapping service. drug2drugs
provides you multiple active compounds with different scaffolds from only one
information i.e the structure of one active compound. There is no need of even the target protein
information.
Fujifilm has developed AI-AAM® (AI-Amino-Acid Mapping), a
new scaffold transformation method based on AI and chemical simulation, with
the aim of increasing the number of active compounds with various scaffolds
from one active compound. Scaffold transformation using AI-AAM® requires only
the structural information of an active compound, not the information of the
target protein.
The AI-AAM® is a novel simulation
technology that combines a unique "Amino-Acid Mapping (AAM)
descriptor" along with proprietary AI technology to design new compounds
with stable structures. AAM descriptor predicts the binding strength between
proteins and compounds by quantifying the binding strength between 20 types of
amino acid residues, the constituent elements of proteins, and compounds.
This technology enables the
automatic searching and design of new candidate compounds from the structural
formulas of existing active compounds. AI-AAM uses "AAM
descriptors" calculated from the structural formulas of existing active
compounds to search automatically and design new compounds with different scaffold
while keeping equivalent binding strength to the target protein.
This approach realizes an
inverse problem-solving method to estimate causes from results, allowing not
only searching with compound libraries but also designing compounds with
previously unthought-of structures. Furthermore, it achieves high convenience
and versatility as it does not require vast experimental data for the
three-dimensional structures of target proteins, which can vary by disease.
Simply applying AI-AAM to the structural formulas of existing pharmaceutical
candidate compounds allows for the exploration and design of new compounds.
We
launched drug2drugs based on AI-AAM, a drug discovery support service
for pharmaceutical and pesticide related companies. The content of the service
includes (i) scaffold hopping of lead ligands, (ii) hit compound search using
bioactive peptides, and (iii) lead-optimization by partial structural
modification using AI-AAM.
![FUJIFILM Wako Chemicals Europe GmbH](https://www.cphi-online.com/c308573th_S-comp308573.jpg)
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