DFT, hirshfeld and molecular docking studies of a hybrid compound - 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate as a promising anti -breast cancer agent

Author:

Ayisha Begam K.,Kanagathara N.ORCID,Marchewka M.K.,Lo An-YaORCID

Publisher

Elsevier BV

Subject

Multidisciplinary

Reference51 articles.

1. Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one;Daoui;Acta Crystallogr.,2019

2. Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl, ethenyl)-4,5-dihydropyridazin-3(2H)-one;Daoui;Acta Crystallogr.,2022

3. Vibrational spectroscopic studies and computational study of 2,4-diamino-6-methyl-1,3,5-triazin-1-ium 4-cyanobenzoate;Sheena Mary;Int. J. Ind. Chem.,2011

4. Chapter 6.3- triazines, tetrazines and fused ring polyaza systems;Prokhorov;Prog. Heterocycl. Chem.,2011

5. Novel pyrimidine and 1,3,5-triazine hypolipemic agents;D’Atri;J. Med. Chem.,1984

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