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Abstract

Static and dynamic models (incorporating the time course of the inhibitor) were assessed for their ability to predict drug–drug interactions (DDIs) using a population-based ADME simulator (Simcyp®V8). In this study we analyse the impact of bone active metabolites, dosing time and the ability to predict inter-individual variability in DDI magnitude were investigated using assessments of comparison of dynamic and static algorithmic models for predicting drug–drug interactions via inhibition mechanisms for a scalable literature Computer-based discovery of an annotated SPR4-peptide-similar multi-molecular reverse docked super-agonist pharmacophoric scaffold as a canditate bone metabolism regulator.

Keywords

Assessment algorithms; predicting drug–drug interactions; via inhibition mechanisms; comparison; dynamic; static models; scalable literature; Computer-based discovery; annotated SPR4-peptide-similar; multi-molecular pharmacophoric; reverse docked; super-agonist scaffold; canditate regulator; bone metabolism;

Article Type

Research Article – Abstract

Publication history

Received: Sep 20, 2017
Accepted: Sep 25, 2017
Published: Oct 01, 2017

Citation

Grigoriadis Ioannis, Grigoriadis George, Grigoriadis Nikolaos, George Galazios (2017) Assessment of comparison of dynamic and static algorithmic models for predicting drug–drug interactions via inhibition mechanisms for a scalable literature Computer-based discovery of an annotated SPR4-peptide-similar multi-molecular reverse docked super-agonist pharmacophoric scaffold as a canditate bone metabolism regulator.

Authors Info

Grigoriadis Nikolaos
Department of IT Computer Aided Personalized Myoncotherapy, Cartigenea-Cardiogenea, Neurogenea-Cellgenea, Cordigenea-HyperoligandorolTM,
Biogenea Pharmaceuticals Ltd,
Thessaloniki, Greece;

Grigoriadis Ioannis
Department of Computer Drug Discovery Science, BiogenetoligandorolTM,
Biogenea Pharmaceuticals Ltd,
Thessaloniki, Greece;

Grigoriadis George
Department of Stem Cell Bank and ViroGeneaTM,
Biogenea Pharmaceuticals Ltd,
Thessaloniki, Greece;

George Galazios
Professor of Obstetrics and Gynecology,
Democritus University of Thrace,
Komotini, Greece;

E-mail: biogeneadrug@gmail.com

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