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Density Functional Theory, Chemical Reactivity, Pharmacological Potential and Molecular Docking of Dihydrothiouracil-Indenopyridopyrimidines with Human-DNA Topoisomerase II

In this work, three computational methods (Hatree-Fock (HF), Møller–Plesset 2 (MP2), and Density Functional Theory (DFT)) using a variety of basis sets are used to determine the atomic and molecular properties of dihydrothiouracil-based indenopyridopyrimidine (TUDHIPP) derivatives. Reactivity descri...

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Detalles Bibliográficos
Autores principales:	Elshakre, Mohamed E., Noamaan, Mahmoud A., Moustafa, Hussein, Butt, Haider
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7072893/ https://www.ncbi.nlm.nih.gov/pubmed/32070048 http://dx.doi.org/10.3390/ijms21041253

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