TY - JOUR
T1 - Synthesis and characterization of a hydrogen bonded metal-organic cocrystal
T2 - exploration of its DNA binding study
AU - Khan, Samim
AU - Alothman, Zeid Abdullah
AU - Mohammad, Mukti
AU - Islam, Md Sanaul
AU - Slawin, Alexandra
AU - Wabaidur, Saikh Mohammad
AU - Islam, Md. Maidul
AU - Mir, Mohammad Hedayetullah
N1 - The authors are grateful to the Researchers Supporting Project No. (RSP-2019/1) King Saud University, Riyadh, Saudi Arabia and S.K. thanks CSIR, India for awarding a Research Associateship (Sanction No. 09/1157 (0005) 2K19 EMR-I).
PY - 2020/2/18
Y1 - 2020/2/18
N2 - 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 abstractA 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.
AB - 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 abstractA 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.
U2 - 10.1016/j.poly.2020.114454
DO - 10.1016/j.poly.2020.114454
M3 - Article
SN - 0277-5387
JO - Polyhedron
JF - Polyhedron
M1 - 114454
ER -