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Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies
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Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: closed (31 October 2023) | Viewed by 13227

Special Issue Editors

Dr. Arkadiusz Matwijczuk

E-Mail Website
Guest Editor
1. Department of Biophysics, University of Life Sciences in Lublin, Akademicka 13, 20-950 Lublin, Poland
2. ECOTECH-COMPLEX—Analytical and Programme Centre for Advanced Environmentally-Friendly Technologies, Maria Curie-Sklodowska University, Głęboka 39, 20-033 Lublin, Poland
Interests: dual fluorescence effects – ESIPT and AIE; spectroscopy and biology of compositions showing synergism; molecular spectroscopy; transition metal complexes; 1,3,4-thiadiazole; coumarin; modified lipid (liposomal) systems; micellar systems in selected detergents modified with small molecule additives; hydrogen bonding; intermolecular interactions; solvent effects; PVA; fluorescence properties of solid and crystalline systems
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Mariusz Gagoś

E-Mail Website
Co-Guest Editor
1. Department of Cell Biology, Maria Curie-Sklodowska University, Akademicka 19, 20-033 Lublin, Poland
2. Department of Biochemistry and Molecular Biology, Medical University of Lublin, 20-093 Lublin, Poland
Interests: cell biology; molecular spectroscopies; monomolecular layers; bioactive molecules; synergistic interactions of the drugs; antifungal drugs
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Excessive antibiotic therapy means that the growing problem of diseases caused by various fungal infections is increasingly present, and it also increases the number of highly drug-resistant strains. This makes it necessary either to search for new compounds with a specific pharmacological effect or to look for ways to improve the performance of drugs that are already used. One very effective way to enhance the performance of pharmaceuticals that already exist is to combine therapies with several different drugs to determine their mutual synergistic properties. Here, of course, we can create many different combinations, whether among already-known pharmaceuticals or by combining known pharmaceuticals with newly obtained drugs through chemical syntheses. It has become extremely promising, among other methods, to create synergistic compositions of antibiotics that have been used for years, e.g., polyene or azole drugs with newly obtained compounds of various types. Such compositions show very promising effects in relation to many fungal strains, including extremely drug-resistant ones. However, even the biological effect of some compositions is generally known, there is a lot to be done in terms of spectroscopic effects so that the exact mechanisms of the molecular action of such compositions can be established. The development of modern spectroscopic techniques, especially fluorescence, allows research topics to be explored more thoroughly than ever before. Understanding the molecular mechanisms that affect the better functioning of a given drug composition is an extraordinary opportunity to solve the growing problem caused by fungal infections. This in turn brings us closer to creating new medicines that can be effectively placed on the market and used in hospital treatments.

Therefore, this Special Issue is dedicated mainly to subjects related to the phenomenon of action of various synergistic compositions. By this, we mean not only antibiotics or compounds listed in the title of the issue but any kind of similar composition. We strongly encourage you to submit works related to the topics mentioned above in combination with model biological systems such as liposomal systems, micellar systems, aquatic environments, complexes with selected rare earth metal ions, nanoparticles, etc. Our primary interest is in new topics related to compositions exhibiting the synergistic properties of various molecules and in review articles related to any issue from the keywords or a given description. We encourage submissions that include spectroscopic methods from the most basic to the most advanced, as well as contemporary ones, and we welcome work supported with DFT, [TD]DFT quantum chemistry calculations, and crystallographic results, although this is not a prerequisite. In addition, works containing the results of biological research, which may show given molecules and, above all, their combinations showing synergism, are also very welcome. Most of all, we are looking for works in which the authors try to combine spectroscopic and biological properties and approach the problem in a multithreaded way. Therefore, we strongly encourage you to send experimental works that are spectroscopic, theoretical, biological, or contain all of these aspects combined.

Dr. Arkadiusz Matwijczuk
Prof. Dr. Mariusz Gagoś
Guest Editors

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Keywords

  • synergistic properties
  • synergism and synergy mechanisms
  • antibiotics and azoles; molecules from different groups, known or newly synthesized
  • biological tests of antifungal properties
  • liposomal systems
  • molecular spectroscopy (electronic absorption and emission, fluorescence lifetime, molecular electronic transition spectroscopy, FT-IR and Raman spectroscopy, circular dichroism (CD), Differential Scanning Calorimetry (DSC), NMR and NMR imaging spectroscopy, SPR, FLIM, Confocal Microscopy, Fluorescence Microscopy, and other spectroscopic methods)
  • lipid mixes (various lipids) and modifications with sterol additives
  • small-molecule additives (various small molecules, e.g., thiadiazoles, coumarins, hybrid systems of small molecules, molecular sensors and other compounds which change their physiochemical properties upon the interactions with lipid systems)
  • various nanoparticle-based additives
  • membrane peptides and proteins
  • various micellar systems
  • fluorescent effects in solvents, amorphous forms, and crystals
  • quantum-mechanical calculations for systems showing synergism
  • molecular aggregation
  • drug delivery system

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Published Papers (5 papers)

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Research

19 pages, 5273 KiB  
Article
Synthesis, Physicochemical Characterization using a Facile Validated HPLC Quantitation Analysis Method of 4-Chloro-phenylcarbamoyl-methyl Ciprofloxacin and Its Biological Investigations
by Mostafa F. Al-Hakkani, Nourhan Ahmed, Alaa A. Abbas, Mohammad H. A. Hassan, Hossameldin A. Aziz, Ali M. Elshamsy, Hazim O. Khalifa, Mohamed A. Abdelshakour, Mohammed S. Saddik, Mahmoud M. A. Elsayed, Marwa A. Sabet, Mohamed A. El-Mokhtar, Mosa Alsehli, M. S. Amin, Ahmed M. Abu-Dief and Hamada H. H. Mohammed
Int. J. Mol. Sci. 2023, 24(19), 14818; https://doi.org/10.3390/ijms241914818 - 1 Oct 2023
Cited by 15 | Viewed by 2445
Abstract
A novel derivative of ciprofloxacin (Cpx) was synthesized and characterized using various analytical techniques, including FT-IR spectroscopy, UV-Vis spectroscopy, TEM and SEM analysis, 1H NMR, 13C NMR, and HPLC analysis. The newly prepared Cpx derivative (Cpx-Drv) exhibited significantly enhanced antibacterial properties [...] Read more.
A novel derivative of ciprofloxacin (Cpx) was synthesized and characterized using various analytical techniques, including FT-IR spectroscopy, UV-Vis spectroscopy, TEM and SEM analysis, 1H NMR, 13C NMR, and HPLC analysis. The newly prepared Cpx derivative (Cpx-Drv) exhibited significantly enhanced antibacterial properties compared to Cpx itself. In particular, Cpx-Drv demonstrated a 51% increase in antibacterial activity against S. aureus and a 30% improvement against B. subtilis. It displayed potent inhibitory effects on topoisomerases II (DNA gyrase and topoisomerase IV) as potential molecular targets, with IC50 values of 6.754 and 1.913 µg/mL, respectively, in contrast to Cpx, which had IC50 values of 2.125 and 0.821 µg/mL, respectively. Docking studies further supported these findings, showing that Cpx-Drv exhibited stronger binding interactions with the gyrase enzyme (PDB ID: 2XCT) compared to the parent Cpx, with binding affinities of −10.3349 and −7.7506 kcal/mole, respectively. Full article
(This article belongs to the Special Issue Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies)
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25 pages, 13841 KiB  
Article
Anticancer Potential of Sulfonamide Moieties via In-Vitro and In-Silico Approaches: Comparative Investigations for Future Drug Development
by Tanveer A. Wani, Seema Zargar, Hamad M. Alkahtani, Nojood Altwaijry and Lamees S. Al-Rasheed
Int. J. Mol. Sci. 2023, 24(9), 7953; https://doi.org/10.3390/ijms24097953 - 27 Apr 2023
Cited by 27 | Viewed by 2317
Abstract
Several kinds of anticancer drugs are presently commercially accessible, but low efficacy, solubility, and toxicity have reduced the overall therapeutic indices. Thus, the search for promising anticancer drugs continues. The interactions of numerous essential anticancer drugs with DNA are crucial to their biological [...] Read more.
Several kinds of anticancer drugs are presently commercially accessible, but low efficacy, solubility, and toxicity have reduced the overall therapeutic indices. Thus, the search for promising anticancer drugs continues. The interactions of numerous essential anticancer drugs with DNA are crucial to their biological functions. Here, the anticancer effects of N-ethyl toluene-4-sulphonamide (8a) and 2,5-Dichlorothiophene-3-sulphonamide (8b) on cell lines from breast and cervical cancer were investigated. The study also compared how these substances interacted with the hearing sperm DNA. The most promising anticancer drug was identified as 2,5-Dichlorothiophene-3-sulfonamide (8b), which showed GI50 of 7.2 ± 1.12 µM, 4.62 ± 0.13 µM and 7.13 ± 0.13 µM against HeLa, MDA-MB231 and MCF-7 cells, respectively. Moreover, it also exhibited significant electrostatic and non-electrostatic contributions to the binding free energy. The work utilized computational techniques, such as molecular docking and molecular dynamic (MD) simulations, to demonstrate the strong cytotoxicity of 2,5-Dichlorothiophene-3-sulfamide (8b) in comparison to standard Doxorubicin and cisplatin, respectively. Molecular docking experiments provided additional support for a role for the minor groove in the binding of the 2,5-Dichlorothiophene-3-sulfamide (8b)-DNA complex. The molecular docking studies and MD simulation showed that both compounds revealed comparable inhibitory potential against standard Doxorubicin and cisplatin. This study has the potential to lead to the discovery of new bioactive compounds for use in cancer treatment, including metallic and non-metallic derivatives of 2,5-Dichlorothiophene-3-sulfonamide (8b). It also emphasizes the worth of computational approaches in the development of new drugs and lays the groundwork for future research. Full article
(This article belongs to the Special Issue Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies)
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13 pages, 4273 KiB  
Article
Toxicity Study and Binding Analysis of Newly Synthesized Antifungal N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide Derivative with Bovine Serum Albumin
by Tanveer A. Wani, Ahmed H. Bakheit, Seema Zargar, Nojood Altwaijry, Mashooq Ahmad Bhat, Hamad M. Alkahtani and Lamees S. Al-Rasheed
Int. J. Mol. Sci. 2023, 24(5), 4942; https://doi.org/10.3390/ijms24054942 - 3 Mar 2023
Cited by 25 | Viewed by 2140
Abstract
The presence of the p-aryl/cyclohexyl ring in the N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazine carbothioamide derivative (2C) is reported to enhance the antifungal properties when compared to those of itraconazole. Serum albumins present in plasma bind and transport ligands, including pharmaceuticals. This study explored 2C [...] Read more.
The presence of the p-aryl/cyclohexyl ring in the N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazine carbothioamide derivative (2C) is reported to enhance the antifungal properties when compared to those of itraconazole. Serum albumins present in plasma bind and transport ligands, including pharmaceuticals. This study explored 2C interactions with BSA using spectroscopic methods such as fluorescence and UV-visible spectroscopy. In order to acquire a deeper comprehension of how BSA interacts with binding pockets, a molecular docking study was carried out. The fluorescence of BSA was quenched by 2C via a static quenching mechanism since a decrease in quenching constants was observed from 1.27 × 105 to 1.14 × 105. Thermodynamic parameters indicated hydrogen and van der Waals forces responsible for the BSA–2C complex formation with binding constants ranging between 2.91 × 105 and 1.29 × 105, which suggest a strong binding interaction. Site marker studies displayed that 2C binds to BSA’s subdomains IIA and IIIA. Molecular docking studies were conducted to further comprehend the molecular mechanism of the BSA–2C interaction. The toxicity of 2C was predicted by Derek Nexus software. Human and mammalian carcinogenicity and skin sensitivity predictions were associated with a reasoning level of equivocal, inferring 2C to be a potential drug candidate. Full article
(This article belongs to the Special Issue Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies)
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26 pages, 3858 KiB  
Article
Synergistic Antifungal Interactions between Antibiotic Amphotericin B and Selected 1,3,4-thiadiazole Derivatives, Determined by Microbiological, Cytochemical, and Molecular Spectroscopic Studies
by Agnieszka Dróżdż, Dominika Kubera, Adrianna Sławińska-Brych, Arkadiusz Matwijczuk, Lidia Ślusarczyk, Grzegorz Czernel, Dariusz Karcz, Alina Olender, Agnieszka Bogut, Daniel Pietrzak, Wojciech Dąbrowski, Andrzej Stepulak, Alicja Wójcik-Załuska and Mariusz Gagoś
Int. J. Mol. Sci. 2023, 24(4), 3430; https://doi.org/10.3390/ijms24043430 - 8 Feb 2023
Cited by 4 | Viewed by 3000
Abstract
In recent years, drug-resistant and multidrug-resistant fungal strains have been more frequently isolated in clinical practice. This phenomenon is responsible for difficulties in the treatment of infections. Therefore, the development of new antifungal drugs is an extremely important challenge. Combinations of selected 1 [...] Read more.
In recent years, drug-resistant and multidrug-resistant fungal strains have been more frequently isolated in clinical practice. This phenomenon is responsible for difficulties in the treatment of infections. Therefore, the development of new antifungal drugs is an extremely important challenge. Combinations of selected 1,3,4-thiadiazole derivatives with amphotericin B showing strong synergic antifungal interactions are promising candidates for such formulas. In the study, microbiological, cytochemical, and molecular spectroscopy methods were used to investigate the antifungal synergy mechanisms associated with the aforementioned combinations. The present results indicate that two derivatives, i.e., C1 and NTBD, demonstrate strong synergistic interactions with AmB against some Candida species. The ATR-FTIR analysis showed that yeasts treated with the C1 + AmB and NTBD + AmB compositions, compared with those treated with single compounds, exhibited more pronounced abnormalities in the biomolecular content, suggesting that the main mechanism of the synergistic antifungal activity of the compounds is related to a disturbance in cell wall integrity. The analysis of the electron absorption and fluorescence spectra revealed that the biophysical mechanism underlying the observed synergy is associated with disaggregation of AmB molecules induced by the 1,3,4-thiadiazole derivatives. Such observations suggest the possibility of the successful application of thiadiazole derivatives combined with AmB in the therapy of fungal infections. Full article
(This article belongs to the Special Issue Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies)
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14 pages, 3390 KiB  
Article
Bio-Fabrication of ZnONPs from Alkalescent Nucleoside Antibiotic to Control Rice Blast: Impact on Pathogen (Magnaporthe grisea) and Host (Rice)
by Taswar Ahsan, Bingxue Li, Yuanhua Wu and Zijing Li
Int. J. Mol. Sci. 2023, 24(3), 2778; https://doi.org/10.3390/ijms24032778 - 1 Feb 2023
Cited by 3 | Viewed by 2449
Abstract
In the traditional method of the bio-fabrication of zinc oxide nanoparticles (ZnONPs), bacterial strains face metal toxicity and antimicrobial action. In the current study, an alkalescent nucleoside antibiotic was mixed with zinc hexanitrate to fabricate the ZnONPs. An integrated approach of DIAION HP-20 [...] Read more.
In the traditional method of the bio-fabrication of zinc oxide nanoparticles (ZnONPs), bacterial strains face metal toxicity and antimicrobial action. In the current study, an alkalescent nucleoside antibiotic was mixed with zinc hexanitrate to fabricate the ZnONPs. An integrated approach of DIAION HP-20 macroporous resin and sephadex LH-20 column chromatography was adopted to separate and purify alkalescent nucleoside AN03 from Streptomyces koyanogensis. Alkalescent nucleoside was confirmed by the Doskochilova solvent system. The bio-fabricated ZnONPs were characterized by using Fourier transform infrared (FTIR), X-ray diffraction (XRD), and transmission electron microscopy (TEM) analyses. The XRD spectrum and the TEM images confirmed the crystallinity and the spherical shape of the ZnONPs with an average size of 22 nm. FTIR analysis showed the presence of functional groups, which confirmed the bio-fabrication of ZnONPs from alkalescent nucleoside ANO3. In-vitro studies showed that 75 μg/mL of ZnONPs had a strong inhibitory zone (28.39 mm) against the Magnaporthe grisea and significantly suppressed the spore germination. SEM and TEM observations respectively revealed that ZnONPs caused breakage in hyphae and could damage the cells of M. grisea. Greenhouse experiments revealed that the foliar spray of ZnONPs could control the rice blast disease by 98%. Results also revealed that ZnONPs had positive effects on the growth of the rice plant. The present study suggested that ZnONPs could be fabricated from microbe-derived nucleoside antibiotics without facing the problems of metal toxicity and antimicrobial action, thus overcoming the problem of pathogen resistance. This could be a potent biocontrol agent in rice blast disease management. Full article
(This article belongs to the Special Issue Synergistic Properties of Selected Compounds with Antibiotics—Spectroscopic and Biological Studies)
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