Synthesis, characterization and in silico designing of diethyl-3-methyl-5-(6-methyl-2-thioxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamido) thiophene-2,4-dicarboxylate derivative as anti-proliferative and anti-microbial agents

Malani, Kalpesh. M.; Thakkar, Sampark S.; Thakur, Mukund Chandra; Ray, Avik; Doshi, Hiren

doi:10.1016/j.bioorg.2016.09.001

Cited by 27 publications

(9 citation statements)

References 18 publications

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“…The broadband at approximately 3380 cm −1 belongs to the hydrogen-bonded -OH group in Spirogyra sp. which is coupled with asymmetric and symmetric stretching vibrations of the -NH 2 group [25]. No changes observed in this peak on the treatment of dead Spirogyra sp.…”

Section: Ir Spectral Analysismentioning

confidence: 85%

Bioaccumulation of arsenic(V) from wastewater by live and dead Spirogyra sp.

Shah¹,

Dubey²,

Thakkar

et al. 2021

J Basic Microbiol

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Contaminated water with arsenic causes a negative impact on socioeconomic status in the concerned area. Existing methods are not much adequate, efficient, and appropriate. Bioremediation of heavy metals with microalgae seems to be a promising and holistic approach to counter the pre-existing associated with heavy metal toxicity. A pure culture of live and dead Spirogyra sp. was tested for its ability to adsorb arsenic(V) and modeling of experimental data was used to interpret the mechanism of bioaccumulation. Langmuir and Freundlich isotherm models were used to explain the sorption of arsenic. The maximum sorption capacity of live Spirogyra sp. was 315 mg/g and dead Spirogyra sp. was 207 mg/g. Mechanism of bioaccumulation for As(V) ions by live and dead Spirogyra sp. were studied using several advanced techniques including Fourier-transform infrared, fluorescence microscopy, and scanning electron microscope. The study summarizes, bioaccumulation of AsO 4 −3 by live and dead cells of Spirogyra sp. seems to be promising. The pseudo-secondorder rate equation described better the kinetics of As(V) adsorption with good correlation coefficients. The results suggested that live Spirogyra sp. was more suitable to remove As(V) as compared to dead Spirogyra sp.

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Section: Ir Spectral Analysismentioning

confidence: 85%

Bioaccumulation of arsenic(V) from wastewater by live and dead Spirogyra sp.

Shah¹,

Dubey²,

Thakkar

et al. 2021

J Basic Microbiol

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“…Amritoside A and Amritoside B have the more number of hydrogen bonds that would be donated by the solute to water molecules in an aqueous solution than the range (0-6) [37] . Azithromycin and Phytol violate the parameter of the total number of acceptor hydrogen bonds [38] . All the molecules are in range for the Square of the dipole moment divided by the molecular volume.…”

Section: Resultsmentioning

confidence: 99%

Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2

Thakkar

Shelat

Thakor

2021

Egyptian Journal of Petroleum

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World Health Organization declared COVID-19 as a global pandemic. A diverse array of drugs failed to combat. There is an immense need for novel lead molecules. Medicinal plants are the reservoir of secondary metabolites. In silico approach has been carried out to dock the ligands (various secondary metabolites from Tinospora cordifolia ) to the target (SARS-CoV-2 main protease) and compared its efficacy against standard drugs (Azithromycin, Chloroquine, Hydroxychloroquine, Favipiravir, Remdesivir). In silico molecular docking approach provides insight into the screened molecules that might prove to be an effective inhibitor for SARS-CoV-2. Out of five standard drug molecules, two widely used antiviral drugs (Favipiravir and Remdesivir) are ascribed as the most potent molecules based on their highest docking score in the present study. Columbin, Tinosporide, N-trans-feruloyl-tyramine-diacetate, Amritoside C, Amritoside B, Amritoside A, Tinocordifolin, Palmatoside G, Palmatoside F, and Maslinic acids are other molecules considered to be the key molecules based on their docking score (range between -5.718 to -5.020).

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“…All reactions were carried out under dry nitrogen. Compounds 4b [55] , [56] , [57] , 4c [58] , 5b [59] , 8a [60] 8c [61] were previously prepared. Their melting points and characterization data are in agreement with the published references.…”

Section: Methodsmentioning

confidence: 99%