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Research Article

Hypothetical confirmation for the anti-bacterial compound potassium succinate-succinic acid in comparison with certain succinate derivatives

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Pages 1237-1248 | Received 16 Nov 2022, Accepted 29 Mar 2023, Published online: 06 Apr 2023

References

  • Al-Otaibi, J. S., Mary, Y. S., Mary, Y. S., Acharjee, N., Balachandar, S., & Yathirajan, H. S. (2022). Insights into solvation effects, spectroscopic, Hirshfeld surface Analysis, reactivity analysis and anti-Covid-19 ability of doxylamine succinate:Experimental, DFT, MD and docking simulations. Journal of Molecular Liquids, 361, 119609. https://doi.org/10.1016/j.molliq.2022.119609
  • Ardiles, C. S., & Rodriguez, C. C. (2021). Theoretical study for determining the type of interactions between a GG block of an alginate chain with metals Cu2+, Mn2+, Ca2+ and Mg2+. Arabian Journal of Chemistry, 14(10), 103325. https://doi.org/10.1016/j.arabjc.2021.103325
  • Arun Kumar, A., Antony Lilly Grace, M., Subramaniyan@raja, R., Rama, S., & Pragadeeswari, G. (2021). Nucleation, dielectric and ferro electric studies of potassium succinate succinic acid (KSSA) crystals. Materials Today: Proceedings, 47(14), 4852–4860. https://doi.org/10.1016/j.matpr.2021.06.083
  • Arunkumar, A., Ramasamy, P., Vishnu, K., & Jayaraj, M. K. (2014). Growth, structural, thermal, optical, and electrical properties of potassium succinate–succinic acid crystal. Journal of Materials Science, 49(10), 3598–3607. https://doi.org/10.1007/s10853-013-7858-8
  • Baikie, T., Schreyer, M., Wei, F., Herrin, J. S., Ferraris, C., Brink, F., Topolska, J., Piltz, R. O., Price, J., & White, T. J. (2014). The influence of stereochemically active lone-pair electrons on crystal symmetry and twist angles in lead apatite-2H type structures. Mineralogical Magazine, 78(2), 325–345. https://doi.org/10.1180/minmag.2014.078.2.07
  • Beaula, T. J., & James, C. (2014). FT-IR, FT-Raman spectra and chemical computations of herbicide 2-phenoxy propionic acid - A DFT approach. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 122, 661–669. https://doi.org/10.1016/j.saa.2013.10.126
  • Beaula, T. J., Joe, I. H., Rastogi, V. K., & Jothy, V. B. (2015). Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer. Chemical Physics Letters. 624, 93–101. https://doi.org/10.1016/j.cplett.2015.02.026
  • Beaula, T. J., Packiavathi, A., Manimaran, D., Joe, H. I., Rastogi, V. K., & Jothy, V. B. (2015). Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 138, 723–735. https://doi.org/10.1016/j.saa.2014.11.034
  • Bernini, M. C., Garro, J. C., Brusau, E. V., Narda, G. E., & Varetti, E. L. (2008). Experimental and theoretical vibrational study of tetraaquatris(succinate)diholmium(III) hexahydrate, a bidimensional hybrid coordination polymer. Journal of Molecular Structure, 888(1-3), 113–123. https://doi.org/10.1016/j.molstruc.2007.11.036
  • Bickerton, G. R., Paolini, G. V., Besnard, J., Muresan, S., & Hopkins, A. L. (2012). Quantifying the chemical beauty of drugs. Nature Chemistry, 4(2), 90–98. https://doi.org/10.1038/nchem.1243
  • Carter, K. P., Young, A. M., & Palmer, A. E. (2014). Fluorescent sensors for measuring metal ions in living systems. Chemical Reviews, 114(8), 4564–4601. https://doi.org/10.1021/cr400546e
  • Chandra, S., Saleem, H., Sundaraganesan, N., & Sebastian, S. (2009). The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 74(3), 704–713. https://doi.org/10.1016/j.saa.2009.07.025
  • Colthup, N. B., Daly, L. H., & Wiberly, S. E. (1990). Introduction to infrared and Raman spectroscopy. Academic Press.
  • Dennington, R., Keith, T. A., & Millam, J. M. (2019). GaussView. Version 6.1.1 Semichem Inc.
  • Dominguez-Robles, J., Larraneta, E., Fong, M. L., Martin, N. K., Irwin, N. J., Mutje, P., Tarres, Q., & Delgado-Aguilar, M. (2020). Lignin/poly(butylene succinate) composites with antioxidant and antibacterial properties for potential biomedical applications. International Journal of Biological Macromolecules, 145, 92–99. https://doi.org/10.1016/j.ijbiomac.2019.12.146
  • Dunning, T. H., Jr., & Hay, P. J. (1977). Modern theoretical chemistry. In H. F. Schaefer III 3, pp. 1–28, Plenum.
  • Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Roobb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G. A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H. P., Izmaylov, A. F., Bloino, J., Zheng, G., Sonnenberg, J. L., Hada, M., … Fox, D. J. (2009). Gaussian 09. Revision A.02. Gaussian, Inc.
  • Hernandez, V., Castiglioni, C., & Zerbi, G. (1994). Hyperconjugation from infrared intensities: The case of methyl acetate and of its selectively deuterated derivatives. Journal of Molecular Structure. 324(1-2), 189–198. https://doi.org/10.1016/0022-2860(94)08239-1z
  • Huang, S., Chen, X., Yan, R., Huang, M., & Chen, D. (2022). Isolation, identification and antibacterial mechanism of the main antibacterial component from pickled and dried mustard (Brassica juncea Coss. var. foliosa Bailey). Molecules, 27(8), 2418. https://doi.org/10.3390/molecules27082418
  • Humphrey, W., Dalke, A., & Schulten, K. (1996). VMD: Visual molecular dynamics. Journal of Molecular Graphics, 14(1), 33–38. https://doi.org/10.1016/0263-7855(96)00018-5
  • Janani, S., Rajagopal, H., Muthu, S., Aayisha, S., & Raja, M. (2021). Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino) piperidine. Journal of Molecular Structure, 1230, 129657. https://doi.org/10.1016/j.molstruc.2020.129657
  • Jia, Z., Pang, H., Li, H., & Wang, H. (2019). A density functional theory study on complexation processes and intermolecular interactions of triptycene-derived oxacalixarenes. Theoretical Chemistry Accounts, 138(9), 113. https://doi.org/10.1007/s00214-019-2502-6
  • Jindal, A., & Vasudevan, S. (2021). Ethylene glycol dihedral angle dynamics: Relating molecular conformation to the Raman spectrum of the liquid. The Journal of Physical Chemistry. B, 125(7), 1888–1895. https://doi.org/10.1021/acs.jpcb.0c10921
  • Juncan, A. M., Moisă, D. G., Santini, A., Morgovan, C., Rus, L.-L., Vonica-Țincu, A. L., & Loghin, F. (2021). Advantages of hyaluronic acid and its combination with other bioactive ingredients in cosmeceuticals. Molecules, 26(15), 4429. https://doi.org/10.3390/molecules26154429
  • Junior, J. A. P., Rocchi, A. J. S., Biagioni, B. T., Cavicchioli, M., Machado, R. T. A., Pavan, F. R., Corbi, P. P., Lustri, W. R., Pereira, D. H., & Massabni, A. C. (2021). Chemical, spectroscopic characterization, molecular modeling and antibacterial activity assays of a silver (I) complex with succinic acid. Eclética Química Journal, 46(2), 26–35. https://doi.org/10.26850/1678-4618eqj.v46.2.2021.p26-35
  • Kaliammal, R., Sudhahar, S., Parvathy, G., Velsankar, K., & Sankaranarayanan, K. (2020). Physicochemical and DFT studies on new organic Bis-(2-amino-6-methylpyridinium) succinate monohydrate good quality single crystal for nonlinear optical applications. Journal of Molecular Structure, 1212, 128069. https://doi.org/10.1016/j.molstruc.2020.128069
  • Khan, S., Sajid, H., Ayub, K., & Mahmood, T. (2020). Adsorption behaviour of chronic blistering agents on graphdiyne, excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses. Journal of Molecular Liquids. 316, 113860. https://doi.org/10.1016/j.molliq.2020.113860
  • Kumar, R., Chandar, B., & Parani, M. (2018). Use of succinic & oxalic acid in reducing the dosage of colistin against New Delhi metallo-β-lactamase-1 bacteria. The Indian Journal of Medical Research, 147(1), 97–101. https://doi.org/10.4103/ijmr.IJMR_1407_16
  • Kuruvilla, T. K., Prasana, J. C., Muthu, S., & George, J. (2018). Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3- a] [1,4]. Diazepine. J. Mol. Struct, 1157, 519–529. https://doi.org/10.1016/j.molstruc.2018.01.001
  • Lipinski, C. A. (2000). Drug-like properties and the causes of poor solubility and poor permeability. Journal of Pharmacological and Toxicological Methods, 44(1), 235–249. https://doi.org/10.1016/s1056-8719(00)00107-6
  • Liu, Y., Grimm, M., Dai, W. T., Hou, M. C., Xiao, Z. X., & Cao, Y. (2020). CB-Dock: A web server for cavity detection-guided protein-ligand blind docking. Acta Pharmacologica Sinica, 41(1), 138–144. https://doi.org/10.1038/s41401-019-0228-6
  • Lu, T., & Chen, F. (2012). Multiwfn: A multifunctional wavefunction analyser. Journal of Computational Chemistry, 33(5), 580–592. https://doi.org/10.1002/jcc.22885
  • Lu, T., & Chen, Q. (2021). Interaction region indicator (IRI): A very simple real space function clearly revealing both chemical bonds and weak interactions. Chemistry–Methods, 1(5), 231–239. https://doi.org/10.1002/cmtd.202100007
  • MacGillivray, L. R. (2010). Metal-organic frameworks: Design and application. John Wiley & Sons.
  • Majid, K. B. A., Kenny, P. A., & Finlay-Jones, J. J. (1997). The effect of the bacterial product, succinic acid on the neutrophil bactericidal activity. FEMS Immunology and Medical Microbiology, 17(2), 79–86. https://doi.org/10.1111/j.1574-695X.1997.tb00999.x
  • Martinez-Reyes, I., & Chandel, N. S. (2020). Mitochondrial TCA cycle metabolites control physiology and disease. Nature Communications, 11(1), 102. https://doi.org/10.1038/s41467-019-13668-3
  • Merrylin, J., Kannah, R. Y., Banu, J. R., & Yeom, I. T. (2020). Chapter 6 Production of organic acids and enzymes/biocatalysts from food waste. In Food waste to valuable resources (pp. 119–141). Academic Press. https://doi.org/10.1016/B978-0-12-818353-3.00006-7
  • Modimola, M., Njobeh, P., Senabe, J., Fouche, G., Mcgaw, L., Makhubu, F., Mathiba, K., Mthobeni, J., & Green, E. (2022). Investigating the antimicrobial properties of Staphylococci-derived compounds against ESKAPE bacteria. Research Square, pre-print, December. https://doi.org/10.21203/rs.3.rs-2360829/v1
  • Muhammad, S., Hassan, S. H., Al-Sehemi, A. G., Shakir, H. A., Khan, M., Irfan, M., & Iqbal, J. (2021). Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An in silico molecular docking and dynamic studies. Chemical Physics Letters, 767, 138379. https://doi.org/10.1016/j.cplett.2021.138379
  • Mumit, M. A., Pal, T. K., Alam, M. A., Al-Amin-Al-Azadul Islam, M., Paul, S., & Sheikh, C. (2020). DFT studies on vibrational and electronic spectra, HOMO-LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene) hydrazine carbodithioate. Journal of Molecular Structure, 1220, 128715. https://doi.org/10.1016/j.molstruc.2020.128715
  • Nghiem, N. P., Kleff, S., & Schwegmann, S. (2017). Succinic acid: Technology development and commercialization. Fermentation, 3(2), 26–39. https://doi.org/10.3390/fermentation3020026
  • Olanrewaju, A. A., Ibeji, C. U., & Oyeneyin, O. E. (2020). Biological evaluation and molecular docking of some newly synthesized 3d-series metal (II) mixed-ligand complexes of fluoro-naphthyl diketone and dithiocarbamate. SN Applied Sciences, 2(4), 678. https://doi.org/10.1007/s42452-020-2482-0
  • Pillai, C. N., & Chellapan, J. (2014). Effect of protonation and hydrogen bonding on 2, 4, 6-substituted pyrimidine and its salt complex-experimental and theoretical evidence. Journal of Molecular Modeling, 20(3), 2139. https://doi.org/10.1007/s00894-014-2139-2
  • Pires, D. E. V., Blundell, T. L., & Ascher, D. B. (2015). pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph based signatures. Journal of Medicinal Chemistry, 58(9), 4066–4072. https://doi.org/10.1021/acs.jmedchem.5b00104
  • Radchenko, E., Dyabina, A., Palyulin, V., & Zefirov, N. (2016). Prediction of human intestinal absorption of drug compounds. Russian Chemical Bulletin, 65(2), 576–580. https://doi.org/10.1007/s11172-016-1340-0
  • Santhy, K. R., Sweetlin, M. D., Muthu, S., Kuruvilla, T. K., & Abraham, C. S. (2019). Structure, spectroscopic study and DFT calculations of 2,6 bis (tri fluro methyl) benzoic acid. Journal of Molecular Structure, 1177, 401–417. https://doi.org/10.1016/j.molstruc.2018.09.058
  • Saravanamoorthy, S. N., Sathiyapriya, G., & Sivasakthi, M. (2019). Comparative structural and vibrational study of 8-hydroxyquinoline and 8-hydroxyquinoline succinate compounds: A DFT study. International Journal for Research in Applied Science and Engineering Technology, 7(12), 1017–1028. https://doi.org/10.22214/ijraset.2019.12161
  • Schrodinger, L. (2009). The PYMOL molecular graphics system. Version 1.5.
  • Schwarze, B., Sobottka, S., Schiewe, R., Sarkar, B., & Hawkins, E. H. (2019). Spectroscopic and electronic properties of molybdacarborane complexes with non-innocently acting ligands. Chemistry (Weinheim an Der Bergstrasse, Germany), 25(36), 8550–8559. https://doi.org/10.1002/chem.201900504
  • Smethurst, D. G. J., & Shcherbik, N. (2021). Interchangeable utilization of metals: New perspectives on the impacts of metal ions employed in ancient and extant biomolecules. The Journal of Biological Chemistry, 297(6), 101374. https://doi.org/10.1016/j.jbc.2021.101374
  • Smith, B. C. (1998). Infrared spectral interpretation: A systematic approach. CRC Press.
  • Smith, D. A., Beaumont, K., Maurer, T. S., & Di, L. (2018). Clearance in drug design: Mini perspective. Journal of Medicinal Chemistry, 62(5), 2245–2255. https://doi.org/10.1021/acs.jmedchem.8b01263
  • Stuart, B. H. (2004). Infrared spectroscopy: Fundamentals and applications. John Wiley & Sons.
  • Suna, P., Hota, P., & Misra, P. K. (2016). Experimenntal and theoretical studies on the structure, electronic and vibrational spectra of o/p-hydroxybenzylidene-o/p-toluidines. Indian Journal of Chemistry, 55(10), 1192–1201. corpus ID: 10937312.
  • Sutay, B., Yurtsever, M., & Yurtsever, E. (2014). A post-HF study on the interaction of iodine with small polyaromatic hydrocarbons. Journal of Molecular Modeling, 20(10), 2445. https://doi.org/10.1007/s00894-014-2445-8
  • Sutrisno, Assyfah, R. D., Retnosari, R., Rachman, I. B., & Wijaya, H. W. (2020). Antibacterial activity of Potassium Salt, Fatty acids and Methyl Esters of Candlenut seed oil against Staphylococcus aureus and Escherichia coli [Paper presentation].International Conference on Life Sciences and Technology (ICoLiST). AIP Conf. Proc. 2231, 040081-1-040081-7, 1-8. https://doi.org/10.1063/5.0002553
  • Varsanyi, G. (1974). Assignments for vibrational spectra of seven hundred benzene derivaties. Adam Hilger.
  • Vein, D. L., Colthup, N. B., Fatley, W. G., & Grasselli, J. G. (1991). The handbook of infrared and Raman characteristic frequencies of organic molecules. Academic Press.
  • Vessally, E., Fereyduni, E., Erdogdu, Y., Habibi, A., Eskandari, K., & Gulluoglu, M. T. (2011). Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate. Journal of Molecular Structure, 985(1), 120–127. https://doi.org/10.1016/j.molstruc.2010.10.031
  • Vidhya, V., Austine, A., & Arivazhagan, M. (2020). Molecular structure, aromaticity, vibrational investigation and dual descriptor for chemical reactivity on 1- chloroisoquinoline using quantum chemical studies. Results in Materials, 6, 100097. https://doi.org/10.1016/j.rinma.2020.100097
  • Wade, R. C., & Goodford, P. J. (1989). The role of hydrogen-bonds in drug binding. Progress in Clinical and Biological Research, 289, 433–444. PMID: 2726808.
  • Weinhold, F., & Klein, R. A. (2014). What is a hydrogen bond? Resonance covalency in the supramolecular domain. Chemistry Education Research and Practice, 15(3), 276–285. https://doi.org/10.1039/C4RP00030G
  • Wohlleben, W., Mast, Y., Stegmann, E., & Ziemert, N. (2016). Antibiotic drug discovery. Microbial Biotechnology, 9(5), 541–548. https://doi.org/10.1111/1751-7915.12388
  • Zhang, M., Redfern, S., Salje, E., Carpenter, M., & Hayward, C. (2010). Thermal behavior of vibrational phonons and hydroxyls of muscovite in dehydroxylation: In situ high-temperature infrared spectroscopic investigations. American Mineralogist, 95(10), 1444–1457. https://doi.org/10.2138/am.2010.3472

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