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Molecular Dynamics
Person
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Person
Publication
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doc. PharmDr. Jan Zitko Ph.D.
Academic staff at Faculty of Pharmacy in Hradec Králové
6 classes
54 publications
Classes
class
Basics of Molecular Modelling of Drugs
+3
GAF316 |
Faculty of Pharmacy in Hradec Králové
class
Computer Aided Drug Design
+1
GDEFCH07 |
Faculty of Pharmacy in Hradec Králové
Publications
publication
Improving Antimicrobial Activity and Physico-Chemical Properties by Isosteric Replacement of 2-Aminothiazole with 2-Aminooxazole
2022 |
Faculty of Pharmacy in Hradec Králové, Faculty of Medicine in Hradec Králové
publication
Adenosine-Mimicking Derivatives of 3-Aminopyrazine-2-Carboxamide: Towards Inhibitors of Prolyl-tRNA Synthetase with Antimycobacterial Activity
2022 |
Faculty of Pharmacy in Hradec Králové
publication
Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
2020 |
Faculty of Pharmacy in Hradec Králové
publication
Derivatives of 3-Aminopyrazine-2-carboxamides: Synthesis, Antimicrobial Evaluation, and in Vitro Cytotoxicity
2019 |
Faculty of Pharmacy in Hradec Králové
publication
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations
2017 |
Faculty of Pharmacy in Hradec Králové
publication
FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations
2017 |
Faculty of Pharmacy in Hradec Králové
publication
Antimycobacterial pyridine carboxamides: From design to in vivo activity
2023 |
Faculty of Pharmacy in Hradec Králové
publication
Hybridization Approach Toward Novel Antituberculars: Design, Synthesis, and Biological Evaluation of Compounds Combining Pyrazinamide and 4-Aminosalicylic Acid
2023 |
Faculty of Pharmacy in Hradec Králové
publication
N-Pyrazinylhydroxybenzamides as biologically active compounds: a hit-expansion study and antimicrobial evaluation
2023 |
Faculty of Pharmacy in Hradec Králové
publication
Pharmaceutical chemistry of drugs affecting cardiovascular, digestive and excretory systems
2022 |
Faculty of Pharmacy in Hradec Králové
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