Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

In a multi-target complex network, the links (Lij) represent the interactions between the drug (di) and the target (tj), characterized by different experimental measures (Ki, Km, IC50, etc.) obtained in pharmacological assays under diverse boundary conditions (cj). In this work, we handle Shannon en...

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Bibliographic Details
Main Authors: Francisco J. Romero Durán, Nerea Alonso, Olga Caamaño, Xerardo García-Mera, Matilde Yañez, Francisco J. Prado-Prado, Humberto González-Díaz
Format: Article
Language:English
Published: MDPI AG 2014-09-01
Series:International Journal of Molecular Sciences
Subjects:
CHEMBL
neuroprotective agents
rasagiline derivatives
asymmetric synthesis
multi-target drugs
molecular information measures
Shannon entropy
Markov chains
moving averages
Online Access:http://www.mdpi.com/1422-0067/15/9/17035

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http://www.mdpi.com/1422-0067/15/9/17035

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