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  1. AU="Udrea, Ana Maria"
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  1. Article ; Online: Therapeutic Potentials of Aconite-like Alkaloids: Bioinformatics and Experimental Approaches.

    Mares, Catalina / Udrea, Ana-Maria / Buiu, Catalin / Staicu, Angela / Avram, Speranta

    Mini reviews in medicinal chemistry

    2024  Volume 24, Issue 2, Page(s) 159–175

    Abstract: Compounds from plants that are used in traditional medicine may have medicinal properties. It is well known that plants belonging to the genus Aconitum are highly poisonous. Utilizing substances derived ... ...

    Abstract Compounds from plants that are used in traditional medicine may have medicinal properties. It is well known that plants belonging to the genus Aconitum are highly poisonous. Utilizing substances derived from
    MeSH term(s) Humans ; Aconitine/pharmacology ; Aconitum ; Molecular Docking Simulation ; Poly(ADP-ribose) Polymerase Inhibitors ; Alkaloids/pharmacology ; Alkaloids/therapeutic use ; Drugs, Chinese Herbal
    Chemical Substances Aconitine (X8YN71D5WC) ; Poly(ADP-ribose) Polymerase Inhibitors ; Alkaloids ; Drugs, Chinese Herbal
    Language English
    Publishing date 2024-01-10
    Publishing country Netherlands
    Document type Review ; Journal Article
    ZDB-ID 2104081-3
    ISSN 1875-5607 ; 1389-5575
    ISSN (online) 1875-5607
    ISSN 1389-5575
    DOI 10.2174/1389557523666230328153417
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 5891: 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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  2. Article: Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species.

    Mareş, Cătălina / Udrea, Ana-Maria / Şuţan, Nicoleta Anca / Avram, Speranţa

    Pharmaceuticals (Basel, Switzerland)

    2023  Volume 16, Issue 6

    Abstract: The chemical compounds from extracts of three Ranunculaceae species, ...

    Abstract The chemical compounds from extracts of three Ranunculaceae species,
    Language English
    Publishing date 2023-06-05
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph16060842
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Target Prediction of 5,10,15,20-Tetrakis(4'-Sulfonatophenyl)-Porphyrin Using Molecular Docking.

    Udrea, Ana-Maria / Dinache, Andra / Staicu, Angela / Avram, Speranta

    Pharmaceutics

    2022  Volume 14, Issue 11

    Abstract: Photodynamic therapy has the potential to be a new and effective cancer treatment. Even if in vitro and in vivo research show promise, the molecular mechanism remains unclear. In this study, molecular docking simulations predict the binding affinity of ... ...

    Abstract Photodynamic therapy has the potential to be a new and effective cancer treatment. Even if in vitro and in vivo research show promise, the molecular mechanism remains unclear. In this study, molecular docking simulations predict the binding affinity of the 5,10,15,20-tetrakis(4'-sulfonatophenyl)-porphyrin tetraammonium photosensitizer on several potential targets in photodynamic treatment. Our results indicate that this photosensitizer binds to several receptor targets, including B-cell lymphoma 2 (BCL-2) and other related proteins BCL-xL, MCL-1, or A1. The binding affinity of the porphyrin derivative with human serum albumin was determined using UV-vis absorption spectroscopy and predicted using molecular docking. We conclude that the studied porphyrin photosensitizer binds to human serum albumin and may inhibit the cancer cell line through its interactions with HIS and MET AA residues from BCL-2, MCL-1, and β-catenin receptors or through its low estimated free energy of binding when interacting with A1 and BCL-B receptors.
    Language English
    Publishing date 2022-11-05
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527217-2
    ISSN 1999-4923
    ISSN 1999-4923
    DOI 10.3390/pharmaceutics14112390
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies.

    Udrea, Ana-Maria / Dinache, Andra / Pagès, Jean-Marie / Pirvulescu, Ruxandra Angela

    Molecules (Basel, Switzerland)

    2021  Volume 26, Issue 8

    Abstract: Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 ...

    Abstract Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs.
    MeSH term(s) Anti-Bacterial Agents/chemistry ; Models, Molecular ; Molecular Docking Simulation ; Quinazolines/chemistry ; Spectroscopy, Fourier Transform Infrared
    Chemical Substances Anti-Bacterial Agents ; Quinazolines
    Language English
    Publishing date 2021-04-19
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules26082374
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.MO 81: Show issues

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  5. Article: Photosensitizers-Loaded Nanocarriers for Enhancement of Photodynamic Therapy in Melanoma Treatment.

    Udrea, Ana Maria / Smarandache, Adriana / Dinache, Andra / Mares, Catalina / Nistorescu, Simona / Avram, Speranta / Staicu, Angela

    Pharmaceutics

    2023  Volume 15, Issue 8

    Abstract: Malignant melanoma poses a significant global health burden. It is the most aggressive and lethal form of skin cancer, attributed to various risk factors such as UV radiation exposure, genetic modifications, chemical carcinogens, immunosuppression, and ... ...

    Abstract Malignant melanoma poses a significant global health burden. It is the most aggressive and lethal form of skin cancer, attributed to various risk factors such as UV radiation exposure, genetic modifications, chemical carcinogens, immunosuppression, and fair complexion. Photodynamic therapy is a promising minimally invasive treatment that uses light to activate a photosensitizer, resulting in the formation of reactive oxygen species, which ultimately promote cell death. When selecting photosensitizers for melanoma photodynamic therapy, the presence of melanin should be considered. Melanin absorbs visible radiation similar to most photosensitizers and has antioxidant properties, which undermines the reactive species generated in photodynamic therapy processes. These characteristics have led to further research for new photosensitizing platforms to ensure better treatment results. The development of photosensitizers has advanced with the use of nanotechnology, which plays a crucial role in enhancing solubility, optical absorption, and tumour targeting. This paper reviews the current approaches (that use the synergistic effect of different photosensitizers, nanocarriers, chemotherapeutic agents) in the photodynamic therapy of melanoma.
    Language English
    Publishing date 2023-08-11
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2527217-2
    ISSN 1999-4923
    ISSN 1999-4923
    DOI 10.3390/pharmaceutics15082124
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: 3D-ALMOND-QSAR Models to Predict the Antidepressant Effect of Some Natural Compounds.

    Avram, Speranta / Stan, Miruna Silvia / Udrea, Ana Maria / Buiu, Cătălin / Boboc, Anca Andreea / Mernea, Maria

    Pharmaceutics

    2021  Volume 13, Issue 9

    Abstract: The current treatment of depression involves antidepressant synthetic drugs that have a variety of side effects. In searching for alternatives, natural compounds could represent a solution, as many studies reported that such compounds modulate the ... ...

    Abstract The current treatment of depression involves antidepressant synthetic drugs that have a variety of side effects. In searching for alternatives, natural compounds could represent a solution, as many studies reported that such compounds modulate the nervous system and exhibit antidepressant effects. We used bioinformatics methods to predict the antidepressant effect of ten natural compounds with neuroleptic activity, reported in the literature. For all compounds we computed their drug-likeness, absorption, distribution, metabolism, excretion (ADME), and toxicity profiles. Their antidepressant and neuroleptic activities were predicted by 3D-ALMOND-QSAR models built by considering three important targets, namely serotonin transporter (SERT), 5-hydroxytryptamine receptor 1A (5-HT1A), and dopamine D2 receptor. For our QSAR models we have used the following molecular descriptors: hydrophobicity, electrostatic, and hydrogen bond donor/acceptor. Our results showed that all compounds present drug-likeness features as well as promising ADME features and no toxicity. Most compounds appear to modulate SERT, and fewer appear as ligands for 5-HT1A and D2 receptors. From our prediction, linalyl acetate appears as the only ligand for all three targets, neryl acetate appears as a ligand for SERT and D2 receptors, while 1,8-cineole appears as a ligand for 5-HT1A and D2 receptors.
    Language English
    Publishing date 2021-09-10
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527217-2
    ISSN 1999-4923
    ISSN 1999-4923
    DOI 10.3390/pharmaceutics13091449
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article: Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking

    Udrea, Ana-Maria / Avram, Speranta / Nistorescu, Simona / Pascu, Mihail-Lucian / Romanitan, Mihaela Oana

    Journal of photochemistry and photobiology. 2020 Oct., v. 211

    2020  

    Abstract: The worldwide infection with the new Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) demands urgently new potent treatment(s). In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and ... ...

    Abstract The worldwide infection with the new Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) demands urgently new potent treatment(s). In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and antipsychotic drugs) when interacting with the main protease (Mᵖʳᵒ) of SARS-CoV-2. Additionally, we tested the binding affinity of photoproducts identified after irradiation of phenothiazines with Nd:YAG laser beam at 266 nm respectively 355 nm. Our results reveal that thioridazine and its identified photoproducts (mesoridazine and sulforidazine) have high biological activity on the virus Mᵖʳᵒ. This shows that thioridazine and its two photoproducts might represent new potent medicines to be used for treatment in this outbreak. Such results recommend these medicines for further tests on cell cultures infected with SARS-CoV-2 or animal model. The transition to human subjects of the suggested treatment will be smooth due to the fact that the drugs are already available on the market.
    Keywords COVID-19 infection ; Severe acute respiratory syndrome coronavirus 2 ; animal models ; bioactive properties ; humans ; irradiation ; markets ; phenothiazines ; photobiology ; photochemistry ; proteinases ; viruses
    Language English
    Dates of publication 2020-10
    Publishing place Elsevier B.V.
    Document type Article
    Note NAL-AP-2-clean
    ZDB-ID 623022-2
    ISSN 1873-2682 ; 1011-1344
    ISSN (online) 1873-2682
    ISSN 1011-1344
    DOI 10.1016/j.jphotobiol.2020.111997
    Database NAL-Catalogue (AGRICOLA)

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2347: 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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  8. Article ; Online: Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking.

    Udrea, Ana-Maria / Avram, Speranta / Nistorescu, Simona / Pascu, Mihail-Lucian / Romanitan, Mihaela Oana

    Journal of photochemistry and photobiology. B, Biology

    2020  Volume 211, Page(s) 111997

    Abstract: The worldwide infection with the new Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) demands urgently new potent treatment(s). In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and ... ...

    Abstract The worldwide infection with the new Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) demands urgently new potent treatment(s). In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and antipsychotic drugs) when interacting with the main protease (M
    MeSH term(s) Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Antiviral Agents/radiation effects ; Betacoronavirus/drug effects ; Betacoronavirus/enzymology ; COVID-19 ; Coronavirus 3C Proteases ; Coronavirus Infections/drug therapy ; Coronavirus Infections/epidemiology ; Coronavirus Infections/virology ; Cysteine Endopeptidases/chemistry ; Host Microbial Interactions/drug effects ; Humans ; Lasers, Solid-State ; Molecular Docking Simulation ; Pandemics ; Phenothiazines/chemistry ; Phenothiazines/pharmacology ; Phenothiazines/radiation effects ; Photochemical Processes ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/epidemiology ; Pneumonia, Viral/virology ; SARS-CoV-2 ; Structure-Activity Relationship ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/chemistry ; COVID-19 Drug Treatment
    Chemical Substances Antiviral Agents ; Phenothiazines ; Viral Nonstructural Proteins ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
    Keywords covid19
    Language English
    Publishing date 2020-08-15
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 623022-2
    ISSN 1873-2682 ; 1011-1344
    ISSN (online) 1873-2682
    ISSN 1011-1344
    DOI 10.1016/j.jphotobiol.2020.111997
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2347: 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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  9. Article: Photodynamic Activity of TMPyP4/TiO

    Balas, Mihaela / Nistorescu, Simona / Badea, Madalina Andreea / Dinischiotu, Anca / Boni, Mihai / Dinache, Andra / Smarandache, Adriana / Udrea, Ana-Maria / Prepelita, Petronela / Staicu, Angela

    Pharmaceutics

    2023  Volume 15, Issue 4

    Abstract: The combination of ... ...

    Abstract The combination of TiO
    Language English
    Publishing date 2023-04-09
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527217-2
    ISSN 1999-4923
    ISSN 1999-4923
    DOI 10.3390/pharmaceutics15041194
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Repurposing anti-inflammatory drugs for fighting planktonic and biofilm growth. New carbazole derivatives based on the NSAID carprofen: synthesis,

    Dumitrascu, Florea / Caira, Mino R / Avram, Speranta / Buiu, Catalin / Udrea, Ana Maria / Vlad, Ilinca Margareta / Zarafu, Irina / Ioniță, Petre / Nuță, Diana Camelia / Popa, Marcela / Chifiriuc, Mariana-Carmen / Limban, Carmen

    Frontiers in cellular and infection microbiology

    2023  Volume 13, Page(s) 1181516

    Abstract: Introduction: One of the promising leads for the rapid discovery of alternative antimicrobial agents is to repurpose other drugs, such as nonsteroidal anti-inflammatory agents (NSAIDs) for fighting bacterial infections and antimicrobial resistance.: ... ...

    Abstract Introduction: One of the promising leads for the rapid discovery of alternative antimicrobial agents is to repurpose other drugs, such as nonsteroidal anti-inflammatory agents (NSAIDs) for fighting bacterial infections and antimicrobial resistance.
    Methods: A series of new carbazole derivatives based on the readily available anti-inflammatory drug carprofen has been obtained by nitration, halogenation and N-alkylation of carprofen and its esters. The structures of these carbazole compounds were assigned by NMR and IR spectroscopy. Regioselective electrophilic substitution by nitration and halogenation at the carbazole ring was assigned from H NMR spectra. The single crystal X-ray structures of two representative derivatives obtained by dibromination of carprofen, were also determined. The total antioxidant capacity (TAC) was measured using the DPPH method. The antimicrobial activity assay was performed using quantitative methods, allowing establishment of the minimal inhibitory/bactericidal/biofilm eradication concentrations (MIC/MBC/MBEC) on Gram-positive (
    Results and discussion: The crystal X-ray structures of 3,8-dibromocarprofen and its methyl ester have revealed significant differences in their supramolecular assemblies. The most active antioxidant compound was
    MeSH term(s) Anti-Inflammatory Agents, Non-Steroidal ; Chlorine ; Bromine ; Antioxidants/pharmacology ; Drug Repositioning ; Anti-Inflammatory Agents ; Carbazoles/pharmacology ; Anti-Bacterial Agents/pharmacology ; Biofilms
    Chemical Substances Anti-Inflammatory Agents, Non-Steroidal ; carprofen (FFL0D546HO) ; Chlorine (4R7X1O2820) ; Bromine (SBV4XY874G) ; Antioxidants ; Anti-Inflammatory Agents ; Carbazoles ; Anti-Bacterial Agents
    Language English
    Publishing date 2023-08-23
    Publishing country Switzerland
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2619676-1
    ISSN 2235-2988 ; 2235-2988
    ISSN (online) 2235-2988
    ISSN 2235-2988
    DOI 10.3389/fcimb.2023.1181516
    Database MEDical Literature Analysis and Retrieval System OnLINE

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