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  1. Article ; Online: Molecular Mechanisms Underlying Medium-Chain Free Fatty Acid-Regulated Activity of the Phospholipase PlaF from

    Gentile, Rocco / Modric, Matea / Thiele, Björn / Jaeger, Karl-Erich / Kovacic, Filip / Schott-Verdugo, Stephan / Gohlke, Holger

    JACS Au

    2024  Volume 4, Issue 3, Page(s) 958–973

    Abstract: PlaF is a membrane-bound phospholipase ... ...

    Abstract PlaF is a membrane-bound phospholipase A
    Language English
    Publishing date 2024-02-27
    Publishing country United States
    Document type Journal Article
    ISSN 2691-3704
    ISSN (online) 2691-3704
    DOI 10.1021/jacsau.3c00725
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Combined in vitro/in silico approaches, molecular dynamics simulations and safety assessment of the multifunctional properties of thymol and carvacrol: A comparative insight.

    Akermi, Sarra / Smaoui, Slim / Chaari, Moufida / Elhadef, Khaoula / Gentile, Rocco / Hait, Milan / Roymahapatra, Gourisankar / Mellouli, Lotfi

    Chemistry & biodiversity

    2024  Volume 21, Issue 2, Page(s) e202301575

    Abstract: Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and ...

    Abstract Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and carvacrol, and assessed their safety. The performed microbiological assays against Pseudomonas aeruginosa, Escherichia coli, Salmonella enterica Typhimurium revealed that the minimal inhibitory concentration values ranged from (0.078 to 0.312 mg/mL) and the minimal fungicidal concentration against Candida albicans was 0.625 mg/mL. Molecular docking simulations, stipulated that these compounds could inhibit bacterial replication and transcription functions by targeting DNA and RNA polymerases receptors with docking scores varying between (-5.1 to -6.9 kcal/mol). Studied hydroxylated monoterpenes could hinder C. albicans growth by impeding lanosterol 14α-demethylase enzyme and showed a (ΔG=-6.2 and -6.3 kcal/mol). Computational studies revealed that thymol and carvacrol could target the SARS-Cov-2 spike protein of the Omicron variant RBD domain. Molecular dynamics simulations disclosed that these compounds have a stable dynamic behavior over 100 ns as compared to remdesivir. Chemo-computational toxicity prediction using Protox II webserver indicated that thymol and carvacrol could be safely and effectively used as drug candidates to tackle bacterial, fungal, and viral infections as compared to chemical medication.
    MeSH term(s) Humans ; Thymol/pharmacology ; Thymol/metabolism ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Monoterpenes/pharmacology ; Monoterpenes/metabolism ; Salmonella typhimurium ; Candida albicans ; Escherichia coli ; Cymenes ; Spike Glycoprotein, Coronavirus
    Chemical Substances Thymol (3J50XA376E) ; carvacrol (9B1J4V995Q) ; spike protein, SARS-CoV-2 ; Monoterpenes ; Cymenes ; Spike Glycoprotein, Coronavirus
    Language English
    Publishing date 2024-01-15
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2139001-0
    ISSN 1612-1880 ; 1612-1872
    ISSN (online) 1612-1880
    ISSN 1612-1872
    DOI 10.1002/cbdv.202301575
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Modulation of RAGE isoforms expression in the brain and plasma of rats exposed to transient focal cerebral ischemia.

    Greco, Rosaria / Amantea, Diana / Mangione, Antonina Stefania / Petrelli, Francesco / Gentile, Rocco / Nappi, Giuseppe / Blandini, Fabio / Corasaniti, M Tiziana / Tassorelli, Cristina

    Neurochemical research

    2012  Volume 37, Issue 7, Page(s) 1508–1516

    Abstract: Activation of RAGE (receptor for advanced glycation endproducts) and of its subtypes may play a role in neuronal damage and neuroinflammation associated with brain ischemia, though the underlying mechanisms remain unclear. In this study, we have examined ...

    Abstract Activation of RAGE (receptor for advanced glycation endproducts) and of its subtypes may play a role in neuronal damage and neuroinflammation associated with brain ischemia, though the underlying mechanisms remain unclear. In this study, we have examined by Western blotting the expression of RAGE isoforms in the cerebral cortex and striatum of Wistar rats subjected to transient (1 or 2 h) middle cerebral artery occlusion (tMCAo). The findings show that the full-length RAGE (~50 kDa) and its isoforms in the 26-43 kDa range are significantly decreased in the ischemic cortex, but not in the striatum, after 1 and 2 h tMCAo when compared to the sham group. By contrast, in the striatum, ischemia-reperfusion injury caused a significant increase of full-length RAGE and its isoforms in the 72-100 kDa range. We also investigated the soluble form of RAGE, which was significantly decreased in the plasma of rats subjected to transient or permanent MCAo. In conclusion, the present data demonstrate that regional brain expression of RAGE is differentially affected by tMCAo in rat. These modifications are accompanied by a decrease in the plasma levels of soluble RAGE, thereby suggesting a potential role for soluble RAGE as a peripheral biomarker of focal ischemia.
    MeSH term(s) Animals ; Blotting, Western ; Fluorescent Antibody Technique ; Ischemic Attack, Transient/blood ; Ischemic Attack, Transient/metabolism ; Male ; Protein Isoforms/blood ; Protein Isoforms/metabolism ; Rats ; Rats, Wistar/blood ; Receptor for Advanced Glycation End Products ; Receptors, Immunologic/metabolism
    Chemical Substances Protein Isoforms ; Receptor for Advanced Glycation End Products ; Receptors, Immunologic
    Language English
    Publishing date 2012-04-19
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 199335-5
    ISSN 1573-6903 ; 0364-3190
    ISSN (online) 1573-6903
    ISSN 0364-3190
    DOI 10.1007/s11064-012-0778-1
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Increased malondialdehyde concentration and reduced total antioxidant capacity in aqueous humor and blood samples from patients with glaucoma.

    Nucci, Carlo / Di Pierro, Donato / Varesi, Chiara / Ciuffoletti, Elena / Russo, Rossella / Gentile, Rocco / Cedrone, Claudio / Pinazo Duran, Maria Dolores / Coletta, Massimiliano / Mancino, Raffaele

    Molecular vision

    2013  Volume 19, Page(s) 1841–1846

    Abstract: Purpose: To evaluate the levels of malondialdehyde (MDA) and total antioxidant capacity (TAC) in the blood and aqueous humor of glaucomatous and nonglaucomatous patients. To measure the adenosine triphosphate/adenosine diphosphate/adenosine ... ...

    Abstract Purpose: To evaluate the levels of malondialdehyde (MDA) and total antioxidant capacity (TAC) in the blood and aqueous humor of glaucomatous and nonglaucomatous patients. To measure the adenosine triphosphate/adenosine diphosphate/adenosine monophosphate (ATP/ADP/AMP) concentration as a biomarker of the blood energy charge potential.
    Methods: We examined 40 consecutive patients with primary open-angle glaucoma scheduled for cataract surgery. Twenty-six age-matched subjects scheduled for cataract surgery were enrolled as a control group. Blood and aqueous humor samples were collected at the time of surgery. MDA concentrations and blood nucleotides were measured with high-performance liquid chromatography. The TAC of the samples was estimated with the oxygen-radical absorbance capacity method.
    Results: Blood and aqueous humor MDA levels in glaucoma patients (respectively, 0.976±0.370 and 0.145±0.065 μmol/ml) were significantly increased (p<0.001 for both) over those of the control group (respectively, 0.454±0.395 and 0.060±0.039 μmol/ml). In contrast, the control group presented significantly higher TACs than did the glaucoma group in both the blood (control: 2.681±1.101 and glaucoma: 1.617±0.674 μmol Trolox Equi/g; p<0.001) and aqueous humor (control: 0.963±0.302 and glaucoma: 0.788±0.346 μmol Trolox Equi/g; p=0.039). The control group (0.869±0.037) exhibited statistically significant (p<0.001) higher values of blood adenosine triphosphate/adenosine diphosphate (ATP-ADP) levels than did the glaucoma group (0.791±0.037).
    Conclusions: Our data further support the hypothesis that oxidative stress and decreased antioxidant defenses are involved in glaucoma. High-performance liquid chromatography appears to be an effective and sensitive method to detect altered levels of oxidative stress markers in glaucoma patients.
    MeSH term(s) Aged ; Antioxidants/metabolism ; Aqueous Humor/metabolism ; Case-Control Studies ; Female ; Glaucoma/blood ; Glaucoma/metabolism ; Humans ; Male ; Malondialdehyde/blood ; Malondialdehyde/metabolism
    Chemical Substances Antioxidants ; Malondialdehyde (4Y8F71G49Q)
    Language English
    Publishing date 2013-08-07
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2017540-1
    ISSN 1090-0535 ; 1090-0535
    ISSN (online) 1090-0535
    ISSN 1090-0535
    Database MEDical Literature Analysis and Retrieval System OnLINE

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