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  1. Article ; Online: Interrogating the lack of diversity of thought in the pandemic response that led to mistakes - holistic evidence-based approach to deal with future pandemics.

    Aldous, Colleen / Kruger, Hendrik G

    Frontiers in public health

    2023  Volume 11, Page(s) 1310210

    Abstract: The COVID-19 pandemic, triggered by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), rapidly became a worldwide emergency. How it was managed garnered both commendation and vehement censure. This crisis profoundly affected healthcare, ... ...

    Abstract The COVID-19 pandemic, triggered by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), rapidly became a worldwide emergency. How it was managed garnered both commendation and vehement censure. This crisis profoundly affected healthcare, the economy, education, and public confidence in scientific endeavors. Our primary aim was to scrutinize the shortcomings in the pandemic management and to articulate a more effective strategy for handling prospective pandemics. We delved into the errors encountered in the COVID-19 response and posited a holistic, evidence-grounded approach for future pandemic mitigation.
    MeSH term(s) Humans ; Pandemics ; Prospective Studies ; COVID-19/epidemiology ; Educational Status ; SARS-CoV-2
    Language English
    Publishing date 2023-12-21
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711781-9
    ISSN 2296-2565 ; 2296-2565
    ISSN (online) 2296-2565
    ISSN 2296-2565
    DOI 10.3389/fpubh.2023.1310210
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Investigating the efficacy of green solvents and solvent-free conditions in hydrogen-bonding mediated organocatalyzed model reactions.

    Chetty, Lloyd C / Kruger, Hendrik G / Arvidsson, Per I / Naicker, Tricia / Govender, Thavendran

    RSC advances

    2024  Volume 14, Issue 12, Page(s) 7992–7998

    Abstract: In this study, we have delved into various reactions conducted using green solvents or under solvent-free conditions, employing hydrogen bonding organocatalysis to advance more sustainable practices in chemical synthesis. The outcomes suggest that ... ...

    Abstract In this study, we have delved into various reactions conducted using green solvents or under solvent-free conditions, employing hydrogen bonding organocatalysis to advance more sustainable practices in chemical synthesis. The outcomes suggest that cyclopentyl methyl ether could potentially replace non-polar organic solvents such as hexane and toluene with comparable enantioselectivity and yields. The non-polar nature of liquefied or supercritical CO
    Language English
    Publishing date 2024-03-07
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d4ra00679h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M

    Silva, José Rogério A / Kruger, Hendrik G / Molfetta, Fábio A

    RSC advances

    2021  Volume 11, Issue 38, Page(s) 23450–23458

    Abstract: The main protease ( ... ...

    Abstract The main protease (M
    Language English
    Publishing date 2021-07-02
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d1ra03956c
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: N-Acetylcysteine and Other Sulfur-Donors as a Preventative and Adjunct Therapy for COVID-19.

    du Preez, Heidi N / Aldous, Colleen / Kruger, Hendrik G / Johnson, Lin

    Advances in pharmacological and pharmaceutical sciences

    2022  Volume 2022, Page(s) 4555490

    Abstract: The airway epithelial glycocalyx plays an important role in preventing severe acute respiratory syndrome coronavirus 2 entry into the epithelial cells, while the endothelial glycocalyx contributes to vascular permeability and tone, as well as modulating ... ...

    Abstract The airway epithelial glycocalyx plays an important role in preventing severe acute respiratory syndrome coronavirus 2 entry into the epithelial cells, while the endothelial glycocalyx contributes to vascular permeability and tone, as well as modulating immune, inflammatory, and coagulation responses. With ample evidence in the scientific literature that coronavirus disease 2019 (COVID-19) is related to epithelial and endothelial dysfunction, preserving the glycocalyx should be the main focus of any COVID-19 treatment protocol. The most studied functional unit of the glycocalyx is the glycosaminoglycan heparan sulfate, where the degree and position of the sulfate groups determine the biological activity. N-acetylcysteine (NAC) and other sulfur donors contribute to the inorganic sulfate pool, the rate-limiting molecule in sulfation. NAC is not only a precursor to glutathione but also converts to hydrogen sulfide, inorganic sulfate, taurine, Coenzyme A, and albumin. By optimising inorganic sulfate availability, and therefore sulfation, it is proposed that COVID-19 can be prevented or at least most of the symptoms attenuated. A comprehensive COVID-19 treatment protocol is needed to preserve the glycocalyx in both the prevention and treatment of COVID-19. The use of NAC at a dosage of 600 mg bid for the prevention of COVID-19 is proposed, but a higher dosage of NAC (1200 mg bid) should be administered upon the first onset of symptoms. In the severe to critically ill, it is advised that IV NAC should be administered immediately upon hospital admission, and in the late stage of the disease, IV sodium thiosulfate should be considered. Doxycycline as a protease inhibitor will prevent shedding and further degradation of the glycocalyx.
    Language English
    Publishing date 2022-08-10
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 3026687-7
    ISSN 2633-4690 ; 2633-4682 ; 2633-4690
    ISSN (online) 2633-4690 ; 2633-4682
    ISSN 2633-4690
    DOI 10.1155/2022/4555490
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Active targeting of CD4

    Ncobeni, Nomfundo / de la Torre, Beatriz G / Albericio, Fernando / Kruger, Hendrik G / Parboosing, Raveen

    Nanotechnology

    2022  Volume 33, Issue 40

    Abstract: Active targeting is a promising approach for the treatment of viral infections. In particular, site-specific formulations for the treatment of HIV infection may overcome challenges associated with current ARV regimens. In this study we explored active ... ...

    Abstract Active targeting is a promising approach for the treatment of viral infections. In particular, site-specific formulations for the treatment of HIV infection may overcome challenges associated with current ARV regimens. In this study we explored active targeting by synthesizing a gold nanoparticle construct decorated with an anti-CD4 cyclic peptide. The aim was to demonstrate selectivity of the system for the CD4 receptor and to deliver the RNA payload into T-lymphocytes. Colloidal gold nanoparticles functionalized with
    MeSH term(s) Gold ; HIV Infections ; HeLa Cells ; Humans ; Metal Nanoparticles/chemistry ; Nanoparticles/chemistry ; Peptides/pharmacology ; Polyethyleneimine/chemistry ; RNA ; T-Lymphocytes
    Chemical Substances Peptides ; RNA (63231-63-0) ; Gold (7440-57-5) ; Polyethyleneimine (9002-98-6)
    Language English
    Publishing date 2022-07-11
    Publishing country England
    Document type Journal Article
    ZDB-ID 1362365-5
    ISSN 1361-6528 ; 0957-4484
    ISSN (online) 1361-6528
    ISSN 0957-4484
    DOI 10.1088/1361-6528/ac7885
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Corrigendum to "Brain penetration of ketamine: Intranasal delivery VS parenteral routes of administration" [J. Psychiatr. Res. 112 (2019) 7-11].

    Naidoo, Vivian / Mdanda, Sipho / Ntshangase, Sphamandla / Naicker, Tricia / Kruger, Hendrik G / Govender, Thavendran / Naidoo, Panjasaram / Baijnath, Sooraj

    Journal of psychiatric research

    2023  Volume 165, Page(s) 254

    Language English
    Publishing date 2023-08-01
    Publishing country England
    Document type Published Erratum
    ZDB-ID 3148-3
    ISSN 1879-1379 ; 0022-3956
    ISSN (online) 1879-1379
    ISSN 0022-3956
    DOI 10.1016/j.jpsychires.2023.07.035
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Ui I Zs.243: Show issues Location:
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    ab Jg. 2022: Lesesaal (EG)

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  7. Article: Drug repurposing and computational modeling for discovery of inhibitors of the main protease (Mᵖʳᵒ) of SARS-CoV-2

    Silva, José Rogério A. / Kruger, Hendrik G. / Molfetta, Fábio A.

    RSC advances. 2021 July 02, v. 11, no. 38

    2021  

    Abstract: The main protease (Mᵖʳᵒ or 3CLᵖʳᵒ) is a conserved cysteine protease from the coronaviruses and started to be considered an important drug target for developing antivirals, as it produced a deadly outbreak of COVID-19. Herein, we used a combination of ... ...

    Abstract The main protease (Mᵖʳᵒ or 3CLᵖʳᵒ) is a conserved cysteine protease from the coronaviruses and started to be considered an important drug target for developing antivirals, as it produced a deadly outbreak of COVID-19. Herein, we used a combination of drug reposition and computational modeling approaches including molecular docking, molecular dynamics (MD) simulations, and the calculated binding free energy to evaluate a set of drugs in complex with the Mᵖʳᵒ enzyme. Particularly, our results show that darunavir and triptorelin drugs have favorable binding free energy (−63.70 and −77.28 kcal mol⁻¹, respectively) in complex with the Mᵖʳᵒ enzyme. Based on the results, the structural and energetic features that explain why some drugs can be repositioned to inhibit Mᵖʳᵒ from SARS-CoV-2 were exposed. These features should be considered for the design of novel Mᵖʳᵒ inhibitors.
    Keywords COVID-19 infection ; Gibbs free energy ; Severe acute respiratory syndrome coronavirus 2 ; antiviral agents ; cysteine proteinases ; molecular dynamics
    Language English
    Dates of publication 2021-0702
    Size p. 23450-23458.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ISSN 2046-2069
    DOI 10.1039/d1ra03956c
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  8. Article ; Online: Pathogenesis of COVID-19 described through the lens of an undersulfated and degraded epithelial and endothelial glycocalyx.

    du Preez, Heidi N / Aldous, Colleen / Hayden, Melvin R / Kruger, Hendrik G / Lin, Johnson

    FASEB journal : official publication of the Federation of American Societies for Experimental Biology

    2021  Volume 36, Issue 1, Page(s) e22052

    Abstract: The glycocalyx surrounds every eukaryotic cell and is a complex mesh of proteins and carbohydrates. It consists of proteoglycans with glycosaminoglycan side chains, which are highly sulfated under normal physiological conditions. The degree of sulfation ... ...

    Abstract The glycocalyx surrounds every eukaryotic cell and is a complex mesh of proteins and carbohydrates. It consists of proteoglycans with glycosaminoglycan side chains, which are highly sulfated under normal physiological conditions. The degree of sulfation and the position of the sulfate groups mainly determine biological function. The intact highly sulfated glycocalyx of the epithelium may repel severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) through electrostatic forces. However, if the glycocalyx is undersulfated and 3-O-sulfotransferase 3B (3OST-3B) is overexpressed, as is the case during chronic inflammatory conditions, SARS-CoV-2 entry may be facilitated by the glycocalyx. The degree of sulfation and position of the sulfate groups will also affect functions such as immune modulation, the inflammatory response, vascular permeability and tone, coagulation, mediation of sheer stress, and protection against oxidative stress. The rate-limiting factor to sulfation is the availability of inorganic sulfate. Various genetic and epigenetic factors will affect sulfur metabolism and inorganic sulfate availability, such as various dietary factors, and exposure to drugs, environmental toxins, and biotoxins, which will deplete inorganic sulfate. The role that undersulfation plays in the various comorbid conditions that predispose to coronavirus disease 2019 (COVID-19), is also considered. The undersulfated glycocalyx may not only increase susceptibility to SARS-CoV-2 infection, but would also result in a hyperinflammatory response, vascular permeability, and shedding of the glycocalyx components, giving rise to a procoagulant and antifibrinolytic state and eventual multiple organ failure. These symptoms relate to a diagnosis of systemic septic shock seen in almost all COVID-19 deaths. The focus of prevention and treatment protocols proposed is the preservation of epithelial and endothelial glycocalyx integrity.
    MeSH term(s) COVID-19/metabolism ; COVID-19/pathology ; Endothelial Cells/metabolism ; Endothelial Cells/pathology ; Endothelium, Vascular/metabolism ; Endothelium, Vascular/pathology ; Glycocalyx/metabolism ; Glycocalyx/pathology ; Glycocalyx/virology ; Humans ; Oxidative Stress ; SARS-CoV-2/metabolism ; Sulfotransferases/metabolism
    Chemical Substances Sulfotransferases (EC 2.8.2.-)
    Language English
    Publishing date 2021-12-01
    Publishing country United States
    Document type Journal Article ; Review
    ZDB-ID 639186-2
    ISSN 1530-6860 ; 0892-6638
    ISSN (online) 1530-6860
    ISSN 0892-6638
    DOI 10.1096/fj.202101100RR
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2266: Show issues Location:
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    Zs.MO 296: Show issues

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  9. Article ; Online: The in vitro and in vivo potential of metal-chelating agents as metallo-beta-lactamase inhibitors against carbapenem-resistant Enterobacterales.

    Omolabi, Kehinde F / Reddy, Nakita / Mdanda, Sipho / Ntshangase, Sphamandla / Singh, Sanil D / Kruger, Hendrik G / Naicker, Tricia / Govender, Thavendran / Bajinath, Sooraj

    FEMS microbiology letters

    2022  Volume 370

    Abstract: The recent surge in beta-lactamase resistance has created superbugs, which pose a current and significant threat to public healthcare. This has created an urgent need to keep pace with the discovery of inhibitors that can inactivate these beta-lactamase ... ...

    Abstract The recent surge in beta-lactamase resistance has created superbugs, which pose a current and significant threat to public healthcare. This has created an urgent need to keep pace with the discovery of inhibitors that can inactivate these beta-lactamase producers. In this study, the in vitro and in vivo activity of 1,4,7-triazacyclononane-1,4,7 triacetic acid (NOTA)-a potential metallo-beta-lactamase (MBL) inhibitor was evaluated in combination with meropenem against MBL producing bacteria. Time-kill studies showed that NOTA restored the efficacy of meropenem against all bacterial strains tested. A murine infection model was then used to study the in vivo pharmacokinetics and efficacy of this metal chelator. The coadministration of NOTA and meropenem (100 mg/kg.bw each) resulted in a significant decrease in the colony-forming units of Klebsiella pneumoniae NDM-1 over an 8-h treatment period (>3 log10 units). The findings suggest that chelators, such as NOTA, hold strong potential for use as a MBL inhibitor in treating carbapenem-resistant Enterobacterale infections.
    MeSH term(s) Animals ; Mice ; beta-Lactamase Inhibitors/pharmacology ; Meropenem/pharmacology ; Carbapenems/pharmacology ; Anti-Bacterial Agents/pharmacology ; Chelating Agents/pharmacology ; Microbial Sensitivity Tests ; beta-Lactamases
    Chemical Substances beta-Lactamase Inhibitors ; Meropenem (FV9J3JU8B1) ; Carbapenems ; Anti-Bacterial Agents ; Chelating Agents ; beta-Lactamases (EC 3.5.2.6)
    Language English
    Publishing date 2022-12-12
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 752343-9
    ISSN 1574-6968 ; 0378-1097
    ISSN (online) 1574-6968
    ISSN 0378-1097
    DOI 10.1093/femsle/fnac122
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    Zs.A 1372: Show issues Location:
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  10. Article: Organic Base-Mediated Carboxylation of (Hetero)aromatic Compounds Using Supercritical Carbon Dioxide (scCO2)

    Chetty, Lloyd C. / Kruger, Hendrik G. / Arvidsson, Per I. / Naicker, Tricia / Govender, Thavendran

    Synthesis

    2022  Volume 54, Issue 21, Page(s) 4827–4833

    Abstract: A straightforward site-selective method for the direct carboxylation of resorcinols (3-hydroxyphenol derivatives), phenols, and indoles is reported. The products were obtained in moderate to high yields using supercritical carbon dioxide as an ... ...

    Abstract A straightforward site-selective method for the direct carboxylation of resorcinols (3-hydroxyphenol derivatives), phenols, and indoles is reported. The products were obtained in moderate to high yields using supercritical carbon dioxide as an electrophile and solvent under basic conditions. This method offers solvent and metal free conditions without the cumbersome exclusion of air or water with convenient purification.
    Keywords supercritical carbon dioxide ; Kolbe–Schmitt ; C–H carboxylation ; metal free ; solvent free
    Language English
    Publishing date 2022-07-08
    Publisher Georg Thieme Verlag KG
    Publishing place Stuttgart ; New York
    Document type Article
    ZDB-ID 2033062-5
    ISSN 1437-210X ; 0039-7881
    ISSN (online) 1437-210X
    ISSN 0039-7881
    DOI 10.1055/a-1894-9073
    Database Thieme publisher's database

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