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

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

doi:10.1016/j.poly.2020.114454

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

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

Research output: Contribution to journal › Article › peer-review

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 (K_b) 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 (K_b) value of 2412 M^-1. A docking study has also been carried out to corroborate the experimental findings.

Original language	English
Article number	114454
Journal	Polyhedron
Early online date	18 Feb 2020
DOIs	https://doi.org/10.1016/j.poly.2020.114454
Publication status	E-pub ahead of print - 18 Feb 2020

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@article{3105e08a82f74989b86ac840b350bd9d,

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

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 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.",

author = "Samim Khan and Alothman, \{Zeid Abdullah\} and Mukti Mohammad and Islam, \{Md Sanaul\} and Alexandra Slawin and Wabaidur, \{Saikh Mohammad\} and Islam, \{Md. Maidul\} and Mir, \{Mohammad Hedayetullah\}",

note = "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).",

year = "2020",

month = feb,

day = "18",

doi = "10.1016/j.poly.2020.114454",

language = "English",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier",

}

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.

UR - https://www.scopus.com/pages/publications/85079880394

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 -

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

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