DFT study on the chelating agents for treatment of Iron overload

von Kaviani, Sadegh
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CHF 49.65
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Kaviani, Sadegh DFT study on the chelating agents for treatment of Iron overload
Kaviani, Sadegh - DFT study on the chelating agents for treatment of Iron overload

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Lieferung: zwischen 2021-06-23 und 2021-06-25
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Beschreibung

In the pharmaceutical industry, determination of chemical stability of metal ion-drug which is indicative of physicochemical properties, is very important. The clinical use of experimental chelating agents requires extensive preclinical pharmacological and toxicological assessment in multiple animal models which all of those, increase cost. Consequently, theoretical calculations prior to the experimental studies, can be worthwhile and save time and cost. In recent years, computational chemistry is a very powerful tool to design and development of new chelating agents for removal of Fe3+ metal ion. The quantum mechanical (QM) methods include the calculation of the binding free energies of Fe3+chelating agent complexes in the solution, makes it possible to compare the affinity and selectivity of chelating agents against Fe3+. Among these methods, density functional (DFT) methods provide a highly accurate to study such systems. In this book, we discuss recent developments in the application of DFT methods for investigation of the interactions between Fe3+ and hydroxypyridinone derivatives as chelating agents for treatment of iron overload disease.

Mitwirkende

Autor:
Kaviani, Sadegh

Weitere Informationen

Biografie:
Kaviani, Sadegh
Sadegh Kaviani received his B.S and M.S. Degrees in Pure Chemistry andPhysical Chemistry, respectively, from Azad University of North Tehran in 2009 and 2012. He received his Ph.D in Physical Chemistry from Ferdowsi University of Mashhad in 2017.
Sprache:
Englisch
Seitenanzahl:
56
Medientyp:
Taschenbuch
Verlag:
Scholar's Press

Stammdaten

Produkttyp:
Taschenbuch
Verpackungsabmessungen:
0.22 x 0.15 x 0.003 m; 0.132 kg
GTIN:
09786202318464
DUIN:
FTK634H4V4B
CHF 49.65
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