Synthesis, structural characterization and cytotoxicity of a new proton transfer compound based on 2,4-diamino-1,3,5-triazine: an experimental and computational study

Author:

Gholivand Khodayar1ORCID,Babaee Leila Sarmadi1ORCID,Fallah Nasrin2ORCID,Faraghi Mohammad1ORCID,Dusek Michal3ORCID,Eigner Vaclav3ORCID

Affiliation:

1. Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran, Iran

2. Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran

3. Institute of Physics ASCR, Na Slovance 2, 182 21 Prague 8, Czech Republic

Abstract

A water-soluble proton transfer compound was synthesized and characterized. Non-covalent interactions were studied by X-ray crystallography and DFT calculations. Anticancer activities were investigated and supported by a molecular docking study.

Funder

Ministerstvo Školství, Mládeže a Tělovýchovy

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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