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Synthesis and characterization of a hydrogen bonded metal-organic cocrystal: exploration of its DNA binding study

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Author(s)

Samim Khan, Zeid Abdullah Alothman, Mukti Mohammad, Md Sanaul Islam, Alexandra Slawin, Saikh Mohammad Wabaidur, Md. Maidul Islam, Mohammad Hedayetullah Mir

School/Research organisations

Abstract

A metal-organic cocrystal, [Co(2-quin)2(3-ata)2]·[Co(2-quin)2(H2O)2] (1) (H-2-quin = 2-quinalidic acid and 3-ata = 3-amino-1,2,4-triazole), has been synthesized and characterized by elemental analysis as well as the single-crystal X-ray diffraction (SCXRD) technique. Compound 1 crystallizes in the triclinic space group Pī and shows significant hydrogen bonding interactions, leading to the formation of supramolecular polymers. Hirshfeld surfaces analysis has been performed to investigate the non-covalent interactions in the crystal packing. The cocrystal shows a good in vitro binding propensity with ctDNA, which was reflected by its high binding constant (Kb) value of 2412 M-1. A docking study has also been carried out to corroborate the experimental findings.

Graphical abstract

A metal-organic cocrystal, [Co(2-quin)2(3-ata)2]·[Co(2-quin)2(H2O)2] (1) (H2-quin = 2-quinalidic acid and 3-ata = 3-amino-1,2,4-triazole), has been synthesized, which shows significant hydrogen bonding interactions in the formation of a 2D supramolecular architecture. The cocrystal exhibits a good in vitro binding propensity with ctDNA, which was reflected by its high binding constant (Kb) value of 2412 M-1. A docking study has also been carried out to corroborate the experimental findings.

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Details

Original languageEnglish
Article number114454
JournalPolyhedron
Early online date18 Feb 2020
DOIs
Publication statusE-pub ahead of print - 18 Feb 2020

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