1, 2, 3-Triazoles of 8-hydroxyquinoline and HBT: Synthesis and studies (DNA binding, antimicrobial, molecular docking, ADME, and DFT)

N Nehra, RK Tittal, VD Ghule - ACS omega, 2021 - ACS Publications
A new series of 1, 2, 3-triazole hybrids containing either 2-or 4-hydroxyphenyl benzothiazole
(2-or 4-HBT) and naphthalen-1-ol or 8-hydroxyquinoline (8-HQ) was synthesized in high …

Removal of methylene blue by using sodium alginate-based hydrogel; validation of experimental findings via DFT calculations

A Allangawi, MAA Aljar, K Ayub, A Abd El-Fattah… - Journal of Molecular …, 2023 - Elsevier
Removal of commonly used dyes from water bodies has recently gained great interest from
the scientific community. Presence of the methylene blue (MB) dye in drinking water poses …

Synthesis, structural characterization and in vitro antibacterial activity studies of ternary metal complexes of anti-inflammatory bromhexine drug

NF Mahmoud, NRS Omar, GG Mohamed… - Inorganic Chemistry …, 2023 - Elsevier
A novel d-block metal complexes of M (II)/(III) ions using bromhexine (BHX) as primary
ligand and glycine (GLY) as secondary ligand were synthesized and characterized. The …

Synthesis of pyrimidine ligand and its mononuclear metal (II)/(III) complexes: Spectroscopic characterization, thermal, DFT, molecular docking, antimicrobial and …

AI Hassaballah, AK El-Ziaty, EF Ewies… - Inorganic Chemistry …, 2023 - Elsevier
Mononuclear complexes of the type [M (L) 2 (H 2 O) 2] Cl 2 (where M= Co (II), Ni (II), Mn (II),
Zn (II), Cu (II) and Cd (II)) and [Fe (L) 2 (H 2 O) 2] Cl 3 have been prepared and …

An Eu-based MOF as fluorescent probe for the sensitive detection of L-tryptophan

Y Li, G Gao, S Wu, Y Zhang, VP Fedin… - Journal of Solid State …, 2021 - Elsevier
A new type of 3D MOF, namely [Eu (L) 2 NO 3] n (HL​=​ 3, 5-bis (triazol-1-yl)-benzoic acid),
has been designed and synthesized. The unique crystal structure is derived from the …

Structural characterization, spectroscopic studies, and molecular docking studies on metal complexes of new hexadentate cyclic peptide ligand

G Moustafa, E Sabry, EM Zayed… - Applied …, 2022 - Wiley Online Library
New cyclic peptide ligand (L), 4, 7, 17, 20‐tetrabenzyl‐2, 5, 8, 16, 19, 22‐hexaoxo‐3, 6, 9,
15, 18, 21‐hexaaza‐1 (1, 3)‐benzenacyclodocosaphane‐10‐carboxylic acid (BOABCA) …

Synthesis, characterization, DFT, docking, antimicrobial and thermal study of pyrimidine-carbonitrile ligand and its metal complexes

EM Zayed, EF Ewies, AI Hassaballah… - Journal of Molecular …, 2023 - Elsevier
Elements, molar conductivity, IR, electronic absorption, magnetic susceptibility, and thermal
decomposition data were used to describe single-core pyrimidine-carbonitrile complexes of …

Isophthaloylbis (azanediyl) dipeptide ligand and its complexes: structural study, spectroscopic, molecular orbital, molecular docking, and biological activity properties

HA Abd El Salam, G Moustafa, EM Zayed… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Abstract The ligand 2, 2′-(isophthaloylbis (azanediyl)) bis (3-phenylpropanoic acid; H2L)
was used to build novel metal complexes of Co (II), Ni (II), Fe (III), and Zn (II) metal ions …

Design, characterization, and different applications of naphthoquinone‐based Schiff base and its M (II/III) complexes with molecular modeling studies

MGA Saleh, FM Alminderej… - Applied …, 2024 - Wiley Online Library
Due to the significant pharmacophoric role of 1, 4‐naphthoquinone moiety, which is found in
numerous biologically active natural products and well‐known chemotherapeutic drugs …

Computer modeling, docking, spectroscopic analysis, and antibacterial testing of metal chelates with dioxatetraaza ligand.

EM Zayed, WA El-Sayed, HA Abd El Salam… - Egyptian Journal of …, 2023 - journals.ekb.eg
Our current efforts are aimed to synthesize new complexes of Co (II), Ni (II), Cu (II), Cr (III), Fe
(III) and Zn (II) metal ions from heterocyclic dioxatetraaza ligand by condensation reaction of …