In-vitro assay for mutagenic activity and gas chromatographic-mass spectral analysis of coal liquefaction material and the products resulting from its hydrogenation

We report the design and synthesis of a series of new 5-chloropyridinyl esters of salicylic acid, ibuprofen, indomethacin, and related aromatic carboxylic acids for evaluation against SARS-CoV-2 3CL protease enzyme. These ester derivatives were synthesized using EDC in the presence of DMAP to provide various esters in good to excellent yields. Compounds are stable and purified by silica gel chromatography and characterized using 1H-NMR, 13C-NMR, and mass spectral analysis. These synthetic derivatives were evaluated in our in vitro SARS-CoV-2 3CLpro inhibition assay using authentic SARS-CoV-2 3CLpro enzyme. Compounds were also evaluated in our in vitro antiviral assay using quantitative VeroE6 cell-based assay with RNAqPCR. A number of compounds exhibited potent SARS-CoV-2 3CLpro inhibitory activity and antiviral activity. Compound 9a was the most potent inhibitor, with an enzyme IC50 value of 160 nM. Compound 13b exhibited an enzyme IC50 value of 4.9 µM. However, it exhibited a potent antiviral EC50 value of 24 µM in VeroE6 cells. Remdesivir, an RdRp inhibitor, exhibited an antiviral EC50 value of 2.4 µM in the same assay. We assessed the mode of inhibition using mass spectral analysis which suggested the formation of a covalent bond with the enzyme. To obtain molecular insight, we have created a model of compound 9a bound to SARS-CoV-2 3CLpro in the active site.

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Anticholinesterase Activity and Mass Spectral Analysis of Olea dioica Roxb., An in vitro Study

10.36468/pharmaceutical-sciences.686 ◽

2020 ◽

Vol 82 (4) ◽

Author(s):

G. K. PRATAP ◽

S. A. RATHER ◽

MANJULA SHANTARAM

Keyword(s):

Spectral Analysis ◽

In Vitro Study ◽

Vitro Study ◽

Anticholinesterase Activity ◽

Mass Spectral Analysis ◽

Mass Spectral

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SYNTHESIS, CHARACTERIZATION, AND ANTICANCER ACTIVITY OF SOME NOVEL ACRIDINE DERIVATIVES

Asian Journal of Pharmaceutical and Clinical Research ◽

10.22159/ajpcr.2020.v13i6.35794 ◽

2020 ◽

pp. 166-169

Author(s):

SWETHA PADIGELA ◽

BHAGAVAN RAJU RM ◽

RAJENDRA PRASAD VVS

Keyword(s):

Spectral Analysis ◽

Anticancer Activity ◽

Cell Lines ◽

Mtt Assay ◽

Chloroacetyl Chloride ◽

Mass Spectral Analysis ◽

Mass Spectral ◽

Acridine Derivatives ◽

Mcf 7

Objective: The objective of the study was to synthesize and evaluate the anticancer activity of some novel acridine derivatives. Methods: The present works involve condensation of acridine and various 2, 4-Thiazolidine-2,4-dione derivatives (2a–2h) with chloroacetyl chloride to give a novel acridine derivatives (5a–5l), respectively. Results: All the newly synthesized molecules (5a–5l) were characterized by FTIR, H1-NMR, and mass spectral analysis along with physical data. The biological potentials of the new synthesized compounds are evaluated for their in vitro anticancer activity by MTT assay. Conclusion: The synthesized compounds 5a, 5f, and 5h exhibited good anticancer activity against MCF-7 and SKVO3 cancer cell lines at a concentration of 0.5 mg/mL-1.

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06/01116 ESI FT-ICR mass spectral analysis of coal liquefaction products

Fuel and Energy Abstracts ◽

10.1016/s0140-6701(06)81120-3 ◽

2006 ◽

Vol 47 (3) ◽

pp. 169-170

Keyword(s):

Spectral Analysis ◽

Coal Liquefaction ◽

Mass Spectral Analysis ◽

Mass Spectral ◽

Coal Liquefaction Products ◽

Ft Icr

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The sonolysis of cytosine and thymine

Canadian Journal of Chemistry ◽

10.1139/v87-194 ◽

1987 ◽

Vol 65 (6) ◽

pp. 1162-1164 ◽

Cited By ~ 4

Author(s):

Tain-Jen Yu ◽

Ronald G. Sutherland ◽

Ronald E. Verrall

Keyword(s):

Spectral Analysis ◽

Degradation Products ◽

Mass Spectral Analysis ◽

Mass Spectral ◽

Ms Analysis ◽

Alloxan Monohydrate ◽

Sonolytic Degradation ◽

Oxaluric Acid ◽

Chromatographic Mass

Sonolysis of cytosine has been studied at 630 kHz in the presence of air and nitrogen. The degradation products were identified by gas chromatographic – mass spectral analysis. Under aerated conditions the following products were found: urea, formyl urea, parabanic acid, isobarbituric acid, oxaluric acid, alloxan monohydrate, alloxantin, dialuric acid, and uracil glycols. Under nitrogen the degradation products were isobarbituric acid, alloxan monohydrate, and uracil glycols. The observed products have been used to develop a possible mechanism for the sonolytic degradation. There appears to be some similarity with the products reported from radiolysis studies of this compound. Sonolysis of thymine in the presence of air was reinvestigated and the gc–ms analysis shows that a previously reported, unidentified, product may be 5-hydroxy-5-methylbarbituric acid.

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An efficient multicomponent synthesis of 1H-pyrano[2,3-d]pyrimidine-2,4(3H,5H)-dione derivatives and evaluation of their α-amylase and α-glucosidase inhibitory activity

Journal of Chemical Research ◽

10.1177/1747519820964048 ◽

2020 ◽

pp. 174751982096404

Author(s):

Mamata Devendra Naik ◽

Yadav D Bodke ◽

Prashantha J ◽

Jayanth K Naik

Keyword(s):

Nuclear Magnetic Resonance ◽

Enzyme Activity ◽

Spectral Analysis ◽

Spectroscopic Techniques ◽

Multicomponent Synthesis ◽

Mass Spectral Analysis ◽

Mass Spectral ◽

Inhibitory Potential ◽

New Compounds

In this paper, we report the synthesis of novel 1 H-pyrano[2,3- d]pyrimidine-2,4(3 H,5 H)-dione derivatives 5(a–j) by a facile multicomponent reaction. The structures of all the newly synthesized compounds were characterized by different spectroscopic techniques including infrared, nuclear magnetic resonance (1H and 13C) and mass spectral analysis. All the new compounds were assessed for their in vitro α-amylase and α-glucosidase enzyme inhibitory potential. The results of the assays revealed that all compounds showed different enzyme inhibition activities. The concentration required to inhibit enzyme activity is less in the case of α-glucosidases than for α-amylases, that is, the synthesized compounds are more potent in arresting α-glucosidase enzyme activity.

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