Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

Beaula, T. Joselin; Packiavathi, A.; Manimaran, D.; Joe, I. Hubert; Rastogi, V. K.; Jothy, V. Bena

doi:10.1016/j.saa.2014.11.034

Cited by 24 publications

(7 citation statements)

References 38 publications

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“…Oppositely, by adding melanin oxidation products, the inhibition effect on bacteria growth of different groups was apparently recovered. Our data was supported by these reports, which demonstrated that PDCA was a good antibacterial compound ( 45 ), and PTCA had anti-inflammatory and anti-oxidation properties ( 46 ). The results indicated that melanin itself directly involved in innate immunity, and the Mitf-tyrosinase- melanin pathway played an important role in innate immune system of P. penguin.…”

Section: Dicussionsupporting

confidence: 90%

“…Bcl2 is an anti-apoptotic gene, and takes part in controlling melanoma survival ( 47 ). Mitf was reported to regulate the transcriptional activity of Tyr , Cdk2 and Bcl2 by binding to their promoters in vertebrate ( 16 , 24 , 45 ). Our data showed that the Mitf silencing significantly inhibited the Tyr , Cdk2 and Bcl2 transcripts, and suggested that Mitf might involve in melanin synthesis, melanocyte growth and melanocyte survival in P. penguin.…”

Section: Dicussionmentioning

confidence: 99%

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Mitf Involved in Innate Immunity by Activating Tyrosinase-Mediated Melanin Synthesis in Pteria penguin

Zhong

et al. 2021

Front. Immunol.

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The microphthalmia-associated transcription factor (MITF) is an important transcription factor that plays a key role in melanogenesis, cell proliferation, survival and immune defense in vertebrate. However, its function and function mechanism in bivalve are still rarely known. In this research, first, a Mitf gene was characterized from Pteria penguin (P. penguin). The PpMitf contained an open reading frame of 1,350 bp, encoding a peptide of 449 deduced amino acids with a highly conserved basic helix-loop-helix-leucine zipper (bHLH-LZ) domain. The PpMITF shared 55.7% identity with amino acid sequence of Crassostrea gigas (C. gigas). Tissue distribution analysis revealed that PpMitf was highly expressed in mantle and hemocytes, which were important tissues for color formation and innate immunity. Second, the functions of PpMitf in melanin synthesis and innate immunity were identified. The PpMitf silencing significantly decreased the tyrosinase activity and melanin content, indicating PpMitf involved in melanin synthesis of P. penguin. Meanwhile, the PpMitf silencing clearly down-regulated the expression of PpBcl2 (B cell lymphoma/leukemia-2 gene) and antibacterial activity of hemolymph supernatant, indicating that PpMitf involved in innate immunity of P. penguin. Third, the function mechanism of PpMitf in immunity was analyzed. The promoter sequence analysis of tyrosinase (Tyr) revealed two highly conserved E-box elements, which were specifically recognized by HLH-LZ of MITF. The luciferase activities analysis showed that Mitf could activate the E-box in Tyr promoter through highly conserved bHLH-LZ domain, and demonstrated that PpMitf involved in melanin synthesis and innate immunity by regulating tyrosinase expression. Finally, melanin from P. penguin, the final production of Mitf-Tyr-melanin pathway, was confirmed to have direct antibacterial activity. The results collectively demonstrated that PpMitf played a key role in innate immunity through activating tyrosinase-mediated melanin synthesis in P. penguin.

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Section: Dicussionsupporting

confidence: 90%

Section: Dicussionmentioning

confidence: 99%

Mitf Involved in Innate Immunity by Activating Tyrosinase-Mediated Melanin Synthesis in Pteria penguin

Zhong

et al. 2021

Front. Immunol.

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“…In 13 C NMR spectrum, the highest chemical shift is observed at 166.14 ppm due to C3 atom of carbonyl. The chemical shift of the carbonyl carbon in PDCA molecule has been assigned at 167.7 ppm [17]. The calculated chemical shifts of carboxylic carbon atoms are predicted at 176.17 (C3) and 175.17 (C7) ppm.…”

Section: C and 1 H Nmr Spectramentioning

confidence: 93%

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

Faizan

Ahmad

Afroz

et al. 2018

Journal of Molecular Structure

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The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA À .AHMP þ) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P2 1 /n. The PDCA À .AHMP þ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA À .AHMP þ crystal. The experimental and simulated 13 C and 1 H NMR studies have assisted in structural analysis of PDCA À .AHMP þ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311þþG (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

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“…Experimental spectra were interpreted in terms of calculated at DFT method in B3LYP/6-311? ?G(d,p) level and literature data [51]. Theoretical wavenumbers were scaled according to the formula: m scaled = 0.98Ám calculated for B3LYP/6-311?…”

Section: Measurement and Calculationmentioning

confidence: 99%

Thermal, spectroscopic (IR, Raman, NMR) and theoretical (DFT) studies of alkali metal complexes with pyrazinecarboxylate and 2,3-pyrazinedicarboxylate ligands

Świderski

Lewandowska

Świsłocka

et al. 2016

J Therm Anal Calorim

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Pyrazinecarboxylic acid and its derivatives show biological properties (inter alia antimicrobial and antifungal). In the frame of this work, the salts of 2-pyrazinecarboxylic and 2,3-pyrazinedicarboxylic acids with alkali metal cations were synthesized as well as the spectroscopic (IR, Raman, NMR), theoretical [density functional theory (DFT)] and thermogravimetric studies of obtained compounds were done. The FT-IR and FT-Raman spectra of alkali metal 2-pyrazinecarboxylates and 2,3-pyrazinedicarboxylates were recorded and analyzed in the region of 4000-400 cm -1 . 1 H NMR and 13 C NMR spectra of analyzed compounds have been registered and assigned. The electronic charge distribution for the studied acids and their salts with lithium, sodium and potassium was calculated. All the calculations were done in the frame of p) basis set. The thermal decomposition of the analyzed compounds was done.

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Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

Cited by 24 publications

References 38 publications

Mitf Involved in Innate Immunity by Activating Tyrosinase-Mediated Melanin Synthesis in Pteria penguin

Mitf Involved in Innate Immunity by Activating Tyrosinase-Mediated Melanin Synthesis in Pteria penguin

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

Thermal, spectroscopic (IR, Raman, NMR) and theoretical (DFT) studies of alkali metal complexes with pyrazinecarboxylate and 2,3-pyrazinedicarboxylate ligands

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