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  1. Article: Redirecting pantoprazole as a metallo-beta-lactamase inhibitor in carbapenem-resistant

    Abdulaal, Wesam H / Alhakamy, Nabil A / Asseri, Amer H / Radwan, Mohamed F / Ibrahim, Tarek S / Okbazghi, Solomon Z / Abbas, Hisham A / Mansour, Basem / Shoun, Aly A / Hegazy, Wael A H / Abdel-Halim, Mahmoud Saad

    Frontiers in pharmacology

    2024  Volume 15, Page(s) 1366459

    Abstract: The development of resistance to carbapenems ... ...

    Abstract The development of resistance to carbapenems in
    Language English
    Publishing date 2024-03-12
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2587355-6
    ISSN 1663-9812
    ISSN 1663-9812
    DOI 10.3389/fphar.2024.1366459
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Unravelling the Antimicrobial, Antibiofilm, Suppressing

    Mekky, Alsayed E / Abdelaziz, Ahmed E M / Youssef, Fady Sayed / Elaskary, Shymaa A / Shoun, Aly A / Alwaleed, Eman A / Gaber, Mahmoud Ali / Al-Askar, Abdulaziz A / Alsamman, Alhadary M / Yousef, Abdullah / AbdElgayed, Gehad / Suef, Reda A / Selim, Mohamed A / Saied, Ebrahim / Khedr, Mohamed

    Medicina (Kaunas, Lithuania)

    2024  Volume 60, Issue 3

    Abstract: Background and ... ...

    Abstract Background and Objectives
    MeSH term(s) Humans ; Silver/pharmacology ; Antioxidants/pharmacology ; Virulence ; Solanum lycopersicum ; Metal Nanoparticles/therapeutic use ; Hydrogen Peroxide/pharmacology ; Anti-Infective Agents/pharmacology ; Anti-Bacterial Agents/pharmacology ; Staphylococcus aureus ; Biofilms ; Anti-Inflammatory Agents/pharmacology ; Adhesins, Bacterial ; Polyphenols
    Chemical Substances Silver (3M4G523W1G) ; fibronectin-binding proteins, bacterial ; Antioxidants ; Tannic Acid ; Hydrogen Peroxide (BBX060AN9V) ; Anti-Infective Agents ; Anti-Bacterial Agents ; Anti-Inflammatory Agents ; Adhesins, Bacterial ; Polyphenols
    Language English
    Publishing date 2024-03-21
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2188113-3
    ISSN 1648-9144 ; 1010-660X
    ISSN (online) 1648-9144
    ISSN 1010-660X
    DOI 10.3390/medicina60030515
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 6270: Show issues Location:
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    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

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  3. Article ; Online: Novel indolinone-tethered benzothiophenes as anti-tubercular agents against MDR/XDR M. tuberculosis: Design, synthesis, biological evaluation and in vivo pharmacokinetic study.

    Eldehna, Wagdy M / Mahmoud, Sally Tarek / Elshnawey, Esraa R / Elsayed, Zainab M / Majrashi, Taghreed A / El-Ashrey, Mohamed K / Rashed, Mahmoud / Hemeda, Loah R / Shoun, Aly A / Elkaeed, Eslam B / El Hassab, Mahmoud A / Abdel-Aziz, Marwa M / Shahin, Mai I

    Bioorganic chemistry

    2023  Volume 143, Page(s) 107009

    Abstract: Joining the global effort to eradicate tuberculosis, one of the deadliest infectious killers in the world, we disclose in this paper the design and synthesis of new indolinone-tethered benzothiophene hybrids 6a-i and 7a-i as potential anti-tubercular ... ...

    Abstract Joining the global effort to eradicate tuberculosis, one of the deadliest infectious killers in the world, we disclose in this paper the design and synthesis of new indolinone-tethered benzothiophene hybrids 6a-i and 7a-i as potential anti-tubercular agents. The MICs were determined in vitro for the synthesized compounds against the sensitive M. tuberculosis strain ATCC 25177. Potent compounds 6b, 6d, 6f, 6h, 7a, 7b, 7d, 7f, 7h and 7i were furtherly assessed versus resistant MDR-TB and XDR-TB. Structure activity relationship investigation of the synthesized compounds was illustrated, accordingly. Superlative potency was unveiled for compound 6h (MIC = 0.48, 1.95 and 7.81 µg/mL for ATCC 25177 sensitive TB strain, resistant MDR-TB and XDR-TB, respectively). Moreover, validated in vivo pharmacokinetic study was performed for the most potent derivative 6h revealing superior pharmacokinetic profile over the reference drug. For further exploration of the anti-tubercular mechanism of action, molecular docking was carried out for the former compound in DprE1 active site as one of the important biological targets of TB. The binding mode and the docking score uncovered exceptional binding when compared to the co-crystallized ligand suggesting that it maybe the underlying target for its outstanding anti-tubercular potency.
    MeSH term(s) Humans ; Antitubercular Agents/chemistry ; Extensively Drug-Resistant Tuberculosis ; Molecular Docking Simulation ; Mycobacterium tuberculosis ; Tuberculosis, Multidrug-Resistant/drug therapy ; Structure-Activity Relationship ; Microbial Sensitivity Tests ; Thiophenes
    Chemical Substances Antitubercular Agents ; benzothiophene (073790YQ2G) ; Thiophenes
    Language English
    Publishing date 2023-11-29
    Publishing country United States
    Document type Journal Article
    ZDB-ID 120080-x
    ISSN 1090-2120 ; 0045-2068
    ISSN (online) 1090-2120
    ISSN 0045-2068
    DOI 10.1016/j.bioorg.2023.107009
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 4207: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Article: Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via

    El Hassab, Mahmoud A / Shoun, Aly A / Al-Rashood, Sara T / Al-Warhi, Tarfah / Eldehna, Wagdy M

    Frontiers in chemistry

    2020  Volume 8, Page(s) 584894

    Abstract: The world has recently been struck by the SARS-Cov-2 pandemic, a situation that people have never before experienced. Infections are increasing without reaching a peak. The WHO has reported more than 25 million infections and nearly 857,766 confirmed ... ...

    Abstract The world has recently been struck by the SARS-Cov-2 pandemic, a situation that people have never before experienced. Infections are increasing without reaching a peak. The WHO has reported more than 25 million infections and nearly 857,766 confirmed deaths. Safety measures are insufficient and there are still no approved drugs for the COVID-19 disease. Thus, it is an urgent necessity to develop a specific inhibitor for COVID-19. One of the most attractive targets in the virus life cycle is the polymerase enzyme responsible for the replication of the virus genome. Here, we describe our Structure-Based Drug Design (SBDD) protocol for designing of a new potential inhibitor for SARS-COV-2 RNA-dependent RNA Polymerase. Firstly, the crystal structure of the enzyme was retrieved from the protein data bank PDB ID (7bv2). Then, Fragment-Based Drug Design (FBDD) strategy was implemented using Discovery Studio 2016. The five best generated fragments were linked together using suitable carbon linkers to yield compound
    Keywords covid19
    Language English
    Publishing date 2020-10-30
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2020.584894
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: In silico

    El Hassab, Mahmoud A / Ibrahim, Tamer M / Shoun, Aly A / Al-Rashood, Sara T / Alkahtani, Hamad M / Alharbi, Amal / Eskandrani, Razan O / Eldehna, Wagdy M

    RSC advances

    2021  Volume 11, Issue 26, Page(s) 16026–16033

    Abstract: In the present era, there are many efforts trying to face the emerging and successive waves of the COVID-19 pandemic. This has led to considering new and unusual targets for SARS CoV-2. 2'- ...

    Abstract In the present era, there are many efforts trying to face the emerging and successive waves of the COVID-19 pandemic. This has led to considering new and unusual targets for SARS CoV-2. 2'-
    Language English
    Publishing date 2021-04-29
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d1ra01809d
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: An improved synthesis of pyrido[2,3-d]pyrimidin-4(1H)-ones and their antimicrobial activity.

    Fares, Mohamed / Abd El Hadi, Soha R / Eladwy, Radwa A / Shoun, Aly A / Abdel-Aziz, Marwa M / Eldehna, Wagdy M / Abdel-Aziz, Hatem A / Keller, Paul A

    Organic & biomolecular chemistry

    2018  Volume 16, Issue 18, Page(s) 3389–3395

    Abstract: The screening of a small library of diverse chemical structures resulted in the identification of 2-thioxodihydropyrido[2,3-d]pyrimidine 10a as having broad spectrum antibacterial activity (MIC 0.49-3.9 μg mL-1), and reasonable antifungal activity (MIC ... ...

    Abstract The screening of a small library of diverse chemical structures resulted in the identification of 2-thioxodihydropyrido[2,3-d]pyrimidine 10a as having broad spectrum antibacterial activity (MIC 0.49-3.9 μg mL-1), and reasonable antifungal activity (MIC 31.25 μg mL-1). An expeditious synthesis of 10a was optimized by varying solvents, catalysts and the use of microwave irradiation with the best conditions using DMF as a solvent, I2 (10 mol%) and a 30 minutes reaction time compared to 15 h for classic conventional heating. The pharmacokinetic properties and calculation of drug likeness of 10a suggested good traditional drug-like properties and led to the synthesis of a small library with seven compounds 10a and 10d-i showing broad antimicrobial activity (MIC = 0.49-7.81 μg mL-1) and selectivity indices of more than 5.6 against the normal colon cell line (CCD-33Co). The antifungal activity of compounds 10d-i was moderate to strong with MIC values of 1.95-15.63 μg mL-1.
    MeSH term(s) Anti-Bacterial Agents/chemical synthesis ; Anti-Bacterial Agents/chemistry ; Anti-Bacterial Agents/pharmacology ; Anti-Infective Agents/chemical synthesis ; Anti-Infective Agents/chemistry ; Anti-Infective Agents/pharmacology ; Antifungal Agents/chemical synthesis ; Antifungal Agents/chemistry ; Antifungal Agents/pharmacology ; Aspergillosis/drug therapy ; Aspergillus fumigatus/drug effects ; Bacteria/drug effects ; Bacterial Infections/drug therapy ; Catalysis ; Chemistry Techniques, Synthetic/methods ; Humans ; Microbial Sensitivity Tests ; Pyridines/chemical synthesis ; Pyridines/chemistry ; Pyridines/pharmacology ; Pyrimidines/chemical synthesis ; Pyrimidines/chemistry ; Pyrimidines/pharmacology
    Chemical Substances Anti-Bacterial Agents ; Anti-Infective Agents ; Antifungal Agents ; Pyridines ; Pyrimidines ; pyrido(2,3-d)pyrimidine
    Language English
    Publishing date 2018-04-18
    Publishing country England
    Document type Journal Article
    ZDB-ID 2097583-1
    ISSN 1477-0539 ; 1477-0520
    ISSN (online) 1477-0539
    ISSN 1477-0520
    DOI 10.1039/c8ob00627j
    Database MEDical Literature Analysis and Retrieval System OnLINE

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