Combined experimental and computational studies on molecular structure of nickel complex of 4-amino-N-(1, 3-thiazol-2-yl) benzenesulfonamide with coordinated pyridine

Pandya, Sachin B.; Socha, Bhavesh N.; Chaudhary, Kaushik P.; Dubey, Rajni; Chavda, Bhavin R.; Patel, Urmila H.; Patel, Maheshkumar K.; Patel, Nikita; Bhatt, Bhupesh S.

doi:10.1080/24701556.2020.1835965

Cited by 4 publications

(2 citation statements)

References 49 publications

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“…The global softness (0.4845 eV) which is equal to the reciprocal of global hardness describes the capacity of an atom or a functional group to attract electrons. The quantity global electrophilic power of the compound is electrophilicity (2.7205 eV) which defines a quantitative classification of the global electrophilic nature of a compound and measure of energy lowering due to maximal electron flow between donor and acceptor 84 .…”

Section: Resultsmentioning

confidence: 99%

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

Pandya,

Socha,

Dubey

et al. 2023

Sci Rep

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A 3D-supramolecular nickel integrated Ni-SDZ complex was synthesized using sodium salt of sulfadiazine as the ligand and nickel(II) acetate as the metal salt using a condensation process and slow evaporation approach to growing the single crystal. The metal complex was characterized for its composition, functional groups, surface morphology as well as complex 3D structure, by resorting to various analytical techniques. The interacting surface and stability as well as reactivity of the complex were carried out using the DFT platform. From ADMET parameters, human Intestinal Absorbance data revealed that the compound has the potential to be well absorbed, and also Ni-SDZ complex cannot cross the blood–brain barrier (BBB). Additionally, the complex's DNA binding affinity and in-vivo and in-vitro cytotoxic studies were explored utilizing UV–Vis absorbance titration, viscosity measurements, and S. pombe cells and brine shrimp lethality tests. In visible light radiation, the Ni-SDZ complex displayed exceptional photo-degradation characteristics of approximately 70.19% within 70 min against methylene blue (MB).

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Section: Resultsmentioning

confidence: 99%

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

Pandya,

Socha,

Dubey

et al. 2023

Sci Rep

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show abstract

“…Usually, cells undergoing necrosis show accelerated swelling, lose the cohesion of the membrane, shut down metabolism, and release their contents into the atmosphere. Cells undergoing rapid in vitro necrosis do not have enough time or resources to activate the apoptotic machinery and do not produce apoptotic markers [11][12][13]. Apoptosis is distinguished by well-defined cytological and molecular events, including cell refractive index transition, cytoplasmic shrinkage, nuclear condensation, and regular fragment cleavage of DNA.…”

Section: Introductionmentioning

confidence: 99%

Cytotoxicity Study

Chavda¹,

Socha²

2021

Cytotoxicity - New Insights Into Toxic Assessment

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The nature of being poisonous to cells is cytotoxicity. A number of cell fates can result in the treatment of cells with a cytotoxic compound. In this study, the nauplii were exposed to different concentrations of compounds for 24 hours. Experiments were concluded with control and different concentration of the compound. The whole set was triplicate to get an accurate result. The LC50 was determined from the best fit line, of a graph of % mortality vs. concentration of nauplii. The LC50 value was obtained from the antilogarithm of log [complex] at 50% mortality (LC50), all data were collected from three independent experiments.

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Synthesis, DNA-binding, molecular docking, and cytotoxic activity of a new 4-amino-N-(5-selenocyanatothiazol-2-yl) benzenesulfonamide

Owidha

Alansari

Gouda

et al. 2023

Journal of Molecular Structure

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Combined experimental and computational studies on molecular structure of nickel complex of 4-amino-N-(1, 3-thiazol-2-yl) benzenesulfonamide with coordinated pyridine

Cited by 4 publications

References 49 publications

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

Visible light-driven photocatalysts, quantum chemical calculations, ADMET-SAR parameters, and DNA binding studies of nickel complex of sulfadiazine

Cytotoxicity Study

Synthesis, DNA-binding, molecular docking, and cytotoxic activity of a new 4-amino-N-(5-selenocyanatothiazol-2-yl) benzenesulfonamide

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