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Active immunotherapy is emerging as a potential therapeutic approach for prostate cancer. First phase I trials of an Ii-Key/HER-2/neu(776–790) hybrid peptide vaccine (AE37) with recombinant granulocyte macrophage colony-stimulating factor as adjuvant in patients with HER-2/neu+prostate cancer have shown positive resutls. The primary functionalities of ChemMine Tools fall into five major application areas: data visualization, structure comparisons, similarity searching, compound clustering and prediction of chemical properties. First, users can upload compound data sets to the online Compound Workbench. Numerous utilities are provided for compound viewing, structure drawing and format interconversion. Second, pairwise structural similarities among compounds can be quantified. Third, interfaces to ultra-fast structure similarity search algorithms are available to efficiently mine the chemical space in the public domain. These include fingerprint and embedding/ indexing algorithms. Fourth, the service includes a Clustering Toolbox that integrates cheminformatic algorithms with data mining utilities to enable systematic structure and activity based analyses of custom compound sets. Fifth, physicochemical property descriptors of custom compound sets can be calculated. These descriptors are important for assessing the bioactivity profile of compounds in silico and quantitative structure—activity relationship (QSAR) analyses. ChemMine Tools is available at: http://chemmine.ucr.ed. The condition of a quantum Lyapunov-based control which can be well used in a closed quantum system is that the method can make the system convergent but not just stable. In the convergence study of the quantum Lyapunov control, two situations are classified: nondegenerate cases and degenerate cases. For these two situations, respectively, in this paper the target state is divided into four categories: the eigenstate, the mixed state which commutes with the internal Hamiltonian, the superposition state, and the mixed state which does not commute with the internal Hamiltonian. For these four categories, the quantum Lyapunov control methods for the closed quantum systems are summarized and analyzed. Particularly, the convergence of the control system to the different target states is reviewed, and how to make the convergence conditions be satisfied is summarized and analyzed. Here, in Biogenea we for the first time discovered a COMPUTER-assisted Identified Ii-Key/HER-2/ neu (776-790) Hybrid Peptide-mimotopic poly-mimic chemostructure with vaccine-like active pharmacophore sites as a novel inhibitor trans-activator in Prostate Cancer Patients using the ChemMine tools. An online service for analyzing and clustering small molecules.


Survey of Quantum Lyapunov, Control Methods, COMPUTER-assisted, Ii-Key/HER-2/ neu(776-790), Hybrid poly-mimic, peptide mimotopic, vaccine-like ,chemostructure, active pharmacophore sites, in silico, novel inhibitor, trans-activator, Prostate Cancer Patients.

Article Type

Research Article – Abstract

Publication history

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


Grigoriadis Ioannis, Grigoriadis George, Grigoriadis Nikolaos, George Galazios (2017) A Survey of Quantum Lyapunov Control Methods on COMPUTER-assisted Identified Ii-Key/HER-2/ neu(776-790) Hybrid poly-mimic peptide mimotopic vaccine-like chemostructure with active pharmacophore sites as a future in silico promising novel inhibitor trans-activator in Prostate Cancer Patients generated by the BiogenetoligandorolTM and ChemMine tools.

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;


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