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Abstract

Regeneration of the central nervous system presents a formidable challenge within regenerative medicine, as neurons in the brain and spinal cord have very limited potential for healing and reorganization. The Ile-Lys-Val-Ala-Val (IKVAV) peptide sequence, derived from laminin, has been incorporated into PAs for applications in neural regeneration in order to enhance neural attachment, migration, and neurite outgrowth. Variations in peptide sequence, while maintaining the alternating ionic hydrophilic and hydrophobic residues, have utilized mixed charged residues, such as repeat units of Arg-Ala-Asp-Ala (RADA) or repeat units of RARADADA. Although docking and scoring relies on many approximations, the application of our clustering techniques during lead optimization, with other computational methods, extended more traditional approaches to structure-based drug design in resulting for the first time the efficient generation of logical computations using algorithmic self-assembly of RGD-FHRRIKA-RARADADA-IKVAV responsive peptide-modified mimetic triple-crossover for the figuring of novel hydrothermochemic molecules for tissue regeneration.Regeneration of the central nervous system presents a formidable challenge within regenerative medicine, as neurons in the brain and spinal cord have very limited potential for healing and reorganization. The Ile-Lys-Val-Ala-Val (IKVAV) peptide sequence, derived from laminin, has been incorporated into PAs for applications in neural regeneration in order to enhance neural attachment, migration, and neurite outgrowth. Variations in peptide sequence, while maintaining the alternating ionic hydrophilic and hydrophobic residues, have utilized mixed charged residues, such as repeat units of Arg-Ala-Asp-Ala (RADA) or repeat units of RARADADA. Although docking and scoring relies on many approximations, the application of our clustering techniques during lead optimization, with other computational methods, extended more traditional approaches to structure-based CHARMM additive and polarizable force fields for biophysics and computer-aided drug design Logical computations using algorithmic self-assembly of RGD-FHRRIKA-RARADADA-IKVAV responsive peptide-modified mimetic triple-crossover hydrothermochemic molecules for tissue regeneration.

Keywords

Logical computations;algorithmic; self-assembly;peptide-modified; mimetic;
triple-crossover; hydrothermochemic; molecules;tissue regeneration;Logical computations;algorithmic self-assembly;peptide-modified; mimetic;triple-crossover; CHARMM additive; polarizable force fields; biophysics; computer-aided drug design;

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) CHARMM additive and polarizable force fields for biophysics and computer-aided drug design Logical computations using algorithmic self-assembly of RGD-FHRRIKA-RARADADA-IKVAV responsive peptide-modified mimetic triple-crossover hydrothermochemic molecules for tissue regeneration.

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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