Synthesis, Characterization, DFT Analysis, Biological Evaluation, and Molecular Docking of Schiff Base Derived from Isatin–Isoniazid and Its Metal (II) Complexes

Ramarao, Nalini; Mathada, Basavarajaiah Suliphuldevara; Yernale, Nagesh Gunavanthrao; Javeed, Mohammad; Reddy, K. Ramakrishna

doi:10.1080/10406638.2022.2138927

Cited by 17 publications

(20 citation statements)

References 54 publications

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“…The weak bands seeming at 3039-3009 cm À1 and 2963-2952 cm À1 in the spectra of the free ligand and its mono-and binuclear cobalt(II) complex (2)(3)(4)(5)(6)(7)(8)(9)(10)(11) are assigned to the ν C-H aromatic and of ν C-H conjugated to the aromatic system, respectively. The free carboxylic groups appeared at 1697 and 1721 cm À1 for the H 4 npamh…”

Section: Infrared Spectramentioning

confidence: 98%

“…The infrared spectra of the free ligand H 4 npamh (1) and its mono-and binuclear complexes (2)(3)(4)(5)(6)(7)(8)(9)(10)(11) are shown in Figures S1 and S2 and the values of their characteristic vibrational frequencies are given in Table 2.…”

Section: Infrared Spectramentioning

confidence: 99%

“…10 Werner was the first to construct binuclear complexes and noticed that the color of these complexes was significantly deeper than that of the comparable mononuclear complexes of these metal ions. 11 Schiff bases such as N,N 0 -ethene-bis(salicylideneimine) formed complexes with divalent ions of copper, cadmium, and mercury and these complexes has been reacted with other transition metal ions to give homo bi-and hetero binuclear complexes. 12 On the other hand, work has been done concerning synthesis of new synthesis of ligands able to make two metal atoms into close proximity through complex formation.…”

Section: Introductionmentioning

confidence: 99%

“…The obtained mononuclear cobalt(II) complex ( 2 The mononuclear cobalt(II) complex acted also as a tetradentate ligand, that is, the outer coordination site, capable of coordination with a second metal ions which are mentioned above to form new binuclear complexes (3)(4)(5)(6)(7)(8)(9)(10)(11). The second metal ions are superimposed in the outer coordination site across two coordination bonds with the two oxygen atoms of the phenolic groups, and two covalent bonds with the oxygen atoms of the carboxylic groups.…”

Section: Introductionmentioning

confidence: 99%

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Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

Abou‐Melha

2023

J of Molecular Recognition

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A novel Schiff base has been synthesized from the condensation of the 3‐formyl‐2‐hydroxybenzoic acid and 4‐nitrobenzene‐1,2‐diamine. The new ligand was found to have two coordination sites. So, it has the capability to form mono‐ and binuclear complexes with different metal ions. The free ligand and its mono‐ and binuclear cobalt(II) complexes have been characterized by UV–Visible spectra, IR, elemental analyzes, H1 NMR, conductimetric, thermal, and magnetic measurements. Results indicated that the cobalt(II) ion is attached to the inside coordination site and the second metal ion attached to the outside coordination site. The complexes are all non‐electrolytes, as demonstrated by the molar conductance tests. The thermodynamic parameters of the metal complexes are calculated using Horowitz Metzger and Coats‐Redfern methods. The complexes' bonding properties have also been estimated. Molecular docking was employed to forecast the interaction of the prepared with the Candida‐albicans receptor (1zap). The biological activities of these metal complexes were tested against some bacteria and fungi. It is evident from the biological screening data that the prepared Co(II) binuclear complexes exhibit predominant activity against Candida albicans, Penicillium oxalicum and Escherichia coli, while they have no activity against Micrococcus roseus and Micrococcus luteus.

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Section: Infrared Spectramentioning

confidence: 98%

Section: Infrared Spectramentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

Abou‐Melha

2023

J of Molecular Recognition

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“…[101] All these compounds were tested for their antioxidant activity by in vitro lipid peroxidation levels on rat liver. The results of SAR studies were revealed that the compound (4-(4-fluorophenyl)piperazin-1-yl)(1H-indol-2yl)methanone (88 %) showed strong inhibitory effects on superoxide radical formation compared to standard drug Vitamin E (62 %).Nalini et al [109] developed new metal complexes from indole appended isoniazid compounds and evaluated for their antioxidant activity. The compound (Z)-N'-(6-chloro-2-oxoindolin-3-ylidene)isonicotinohydrazide (70) showed excellent inhibition with value 68.57 %.…”

Section: Antioxidant Activitymentioning

confidence: 99%

The Multi‐Pharmacological Targeted Role of Indole and its Derivatives: A review

Mathada¹,

Yernale

Basha³

2023

ChemistrySelect

Self Cite

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Heterocycles are a privileged motif that appears as a momentous objective in medicinal chemistry. An important class of compounds for drug discovery and design is indole and its derivatives, which have been examined for a variety of biological activities. Therefore, it is noteworthy in the modern progress of synthetic, medicinal chemistry; the last decade has been onlooker with a multitude of reports on several indole derivatives corroborating these chemical entities to be a renowned target for the discovery of new drugs. The current study includes brief natural sources of indole, and a new range of commercially available indole‐based drugs. Additionally, this review discusses the numerous facets of the structure‐activity relationship study (SARs) and provides information about the varied pharmacological effects of indole derivatives. The literature data presented for the anti‐pharmacological agents herein covers largely from the year 2015 to mid of 2022.

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New Azo Derivative of β‐Diketones and Its Cu(II), Co(II) Complexes: Synthesis, Theoretical Study and Biological Activity

Tahirli,

Sadeghian,

Aliyeva

et al. 2024

Chemistry & Biodiversity

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The paper is focused on biological activity and theoretical study of the structure and properties of a new azo derivative of β‐diketones and its complexes with some metals. The aim of our work was to study the structure and properties of the newly synthesized compound as well as to theoretically determine the possibility of complex formation with the Cu(II) or Co(II) ions. A compound with the same substituents R1 = R2 = CH3 was chosen for the study. A synthesized azo compound based on 4‐amino antipyrine and its complexes with Cu(II), Co(II) in solution and solid phase is reported. The structures of these compounds have been testified by X‐ray, IR and NMR spectroscopy. The combined experimental and theoretical approach was used. To study the structure and properties of the synthesized compound, as well as its possible complex formation with the Cu(II), quantum‐chemical calculations were carried out the 6‐31G basis set and the electron density functional theory (DFT) method. These 3‐(1‐phenyl‐2,3‐dimethyl‐pyrazolone‐5) azopentadione‐2,4 (PDPA) with Cu(II) and Co(II) complexes had effective inhibition against butyrylcholinesterase and acetylcholinesterase. IC50 values were found as 19.03, 3.64 µM for AChE and 28.47, 8.01 µM for BChE, respectively. Cholinesterase inhibitors work to slow down the acetylcholine's deterioration.

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Synthesis, Characterization, DFT Analysis, Biological Evaluation, and Molecular Docking of Schiff Base Derived from Isatin–Isoniazid and Its Metal (II) Complexes

Cited by 17 publications

References 54 publications

Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

The Multi‐Pharmacological Targeted Role of Indole and its Derivatives: A review

New Azo Derivative of β‐Diketones and Its Cu(II), Co(II) Complexes: Synthesis, Theoretical Study and Biological Activity

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