Synthesis and spectroscopic characterization of fluorescent 4-aminoantipyrine analogues: Molecular docking and in vitro cytotoxicity studies

Premnath, D.; Selvakumar, P. Mosae; Ravichandiran, Palanisamy; Selvan, G. Tamil; Indiraleka, M.; Vennila, J. Jannet

doi:10.1016/j.saa.2015.08.008

Cited by 25 publications

(10 citation statements)

References 25 publications

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“…The cytotoxicity experiment was performed according to the United States NCI protocol, previously reported method. A detailed experimental procedure was given in Supplementary Material ( Premnath et al, 2015 ).…”

Section: Methodsmentioning

confidence: 99%

Synthesis and Cytotoxic Activity of Novel Indole Derivatives and Their in silico Screening on Spike Glycoprotein of SARS-CoV-2

Gobinath

Packialakshmi

Vijayakumar³

et al. 2021

Front. Mol. Biosci.

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This work investigated the interaction of indole with SARS-CoV-2. Indole is widely used as a medical material owing to its astounding biological activities. Indole and its derivatives belong to a significant category of heterocyclic compounds that have been used as a crucial component for several syntheses of medicine. A straightforward one-pot three-component synthesis of indole, coupled with Mannich base derivatives 1a–1j, was synthesized without a catalyst. The products were confirmed by IR, 1H-NMR, 13C-NMR, mass spectra, and elemental analysis. The indole derivatives were tested for cytotoxic activity, using three cancer cell lines and normal cell lines of Human embryonic kidney cell (HEK293), liver cell (LO2), and lung cell (MRC5) by MTT assay using doxorubicin as the standard drug. The result of cytotoxicity indole compound 1c (HepG2, LC50−0.9 μm, MCF−7, LC50−0.55 μm, HeLa, LC50−0.50 μm) was found to have high activity compared with other compounds used for the same purpose. The synthesized derivatives have revealed their safety by exhibiting significantly less cytotoxicity against the normal cell line (HEK-293), (LO2), and (MRC5) with IC50 > 100 μg/ml. Besides, we report an in silico study with spike glycoprotein (SARS-CoV-2-S). The selective molecules of compound 1c exhibited the highest docking score −2.808 (kcal/mol) compared to other compounds. This research work was successful in synthesizing a few compounds with potential as anticancer agents. Furthermore, we have tried to emphasize the anticipated role of indole scaffolds in designing and discovering the much-awaited anti-SARS CoV-2 therapy by exploring the research articles depicting indole moieties as targeting SARS CoV-2 coronavirus.

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Section: Methodsmentioning

confidence: 99%

Synthesis and Cytotoxic Activity of Novel Indole Derivatives and Their in silico Screening on Spike Glycoprotein of SARS-CoV-2

Gobinath

Packialakshmi

Vijayakumar³

et al. 2021

Front. Mol. Biosci.

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“…Glide scores with greater negative values were significantly considered that suggested the potential structure. The research observed the molecular dynamics and interaction of T2Rs agonists drug molecules (Premnath et al, 2015) with surface spike proteins in COVID-19. The simulated complex of ligand and spike proteins was analyzed to study the biomolecular interactions with chemical bondings such as hydrogen bonding and hydrophobic bonding and the binding affinity of the receptor.…”

Section: Methodsmentioning

confidence: 99%

Computational Studies on T2Rs Agonist-Based Anti–COVID-19 Drug Design

Dhanaraj

Muthiah²,

Rozbu

et al. 2021

Front. Mol. Biosci.

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The expeditious and world pandemic viral disease of new coronavirus (SARS-CoV-2) has formed a prompt urgency to discover auspicious target-based ligand for the treatment of COVID-19. Symptoms of novel coronavirus disease (COVID-19) typically include dry cough, fever, and shortness of breath. Recent studies on many COVID-19 patients in Italy and the United Kingdom found increasing anosmia and ageusia among the COVID-19-infected patients. SARS-CoV-2 possibly infects neurons in the nasal passage and disrupts the senses of smell and taste, like other coronaviruses, such as SARS-CoV and MERS-CoV that could target the central nervous system. Developing a drug based on the T2Rs might be of better understanding and worth finding better molecules to act against COVID-19. In this research, we have taken a taste receptor agonist molecule to find a better core molecule that may act as the best resource to design a drug or corresponding derivatives. Based on the computational docking studies, the antibiotic tobramycin showed the best interaction against 6LU7 COVID-19 main protease. Aromatic carbonyl functional groups of the molecule established intermolecular hydrogen bonding interaction with GLN189 amino acid and it showed the two strongest carbonyl interactions with receptor protein resulting in a glide score of −11.159. To conclude, depending on the molecular recognition of the GPCR proteins, the agonist molecule can be recognized to represent the cell secondary mechanism; thus, it provides enough confidence to design a suitable molecule based on the tobramycin drug.

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“…The peak in the region 111.00-129.73 ppm was for aromatic carbon 30 . The peak in 77.84 ppm was for (-CH 2 ) carbon 34 . The resonance crowning at 10.22 ppm was owed to the C-CH 3 carbons 34 .…”

Section: Electronic Spectral Revisionsmentioning

confidence: 99%

“…The peak in 77.84 ppm was for (-CH 2 ) carbon 34 . The resonance crowning at 10.22 ppm was owed to the C-CH 3 carbons 34 . The band among 149.54 ppm was responsible for azomethine group existing in the ligand which had get rid to upfield in the complex owed to co-ordination 33 .…”

Section: Electronic Spectral Revisionsmentioning

confidence: 99%

Synthesis, Spectral Characterization, Computational Revisions, Toxicology Studies In Addition To Biotic Studies of O-Phenylenediamine Based Schiff Base and Its Transition Metal Complexes

Indra¹,

Xavier²,

Harinathan³

2020

AJPTR

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E)-2-(1-((2-aminophenyl)imino)ethyl)phenol (APIEP) was charity in place of a ligand in lieu of the synthesis of a succession of metallic multiplexes, wherever the metals were Ni(II), Fe(III) and Zn(II). The structural sorts of the ligand in addition to the contrived multiplexes remained characterized by means of numerous spectral as well as diagnostic practices. FT-IR spectra exhibited that the liberty ligand APIEP accomplishes by means of tridentate with hydroxyl, amine and imine moiety were co-ordination sites to all the metal ions. The FT-IR stretching frequency for the above co-ordination sites were varied after co-ordination with Ni(II), Fe(III) then Zn(II) metallic salts. The metallic complexes exhibits octahedral geometry, it was confirmed by spectral techniques. Natal activities of the ligand APIEP voguish accumulation en route on behalf of its multiplexes have remained verified against anti-oxidant and anti-microbial strains. All the metallic multiplexes partake superior biotic doings than the free APIEP. The computational analysis like biological activity prediction, cell line cytotoxicity, acute rate toxicity, environmental toxicity and docking of the samples were done with online software and commercial docking software.

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Synthesis and spectroscopic characterization of fluorescent 4-aminoantipyrine analogues: Molecular docking and in vitro cytotoxicity studies

Cited by 25 publications

References 25 publications

Synthesis and Cytotoxic Activity of Novel Indole Derivatives and Their in silico Screening on Spike Glycoprotein of SARS-CoV-2

Synthesis and Cytotoxic Activity of Novel Indole Derivatives and Their in silico Screening on Spike Glycoprotein of SARS-CoV-2

Computational Studies on T2Rs Agonist-Based Anti–COVID-19 Drug Design

Synthesis, Spectral Characterization, Computational Revisions, Toxicology Studies In Addition To Biotic Studies of O-Phenylenediamine Based Schiff Base and Its Transition Metal Complexes

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