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  1. Article ; Online: Electronic Transmutation Concept: Is the Inverse Process Possible? An Evaluation of Main Group Compounds.

    Báez-Grez, Rodrigo / Yáñez, Osvaldo / Pino-Rios, Ricardo

    ACS omega

    2023  Volume 8, Issue 3, Page(s) 2880–2886

    Abstract: The electronic transmutation (ET) concept states that when an element with atomic ... ...

    Abstract The electronic transmutation (ET) concept states that when an element with atomic number
    Language English
    Publishing date 2023-01-09
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.2c03865
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Revisiting the potential-energy surface of C

    Inostroza, Diego / Vásquez-Espinal, Alejandro / Leyva-Parra, Luis / García-Argote, Williams / Cerón, María Luisa / Yañez, Osvaldo / Tiznado, William

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 30, Page(s) 20235–20240

    Abstract: Using various exploration strategies, in this study, we investigated the potential energy surfaces (PES) of ... ...

    Abstract Using various exploration strategies, in this study, we investigated the potential energy surfaces (PES) of CBe
    Language English
    Publishing date 2023-08-02
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp02056h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Development of a Nanostructured Lipid Carrier (NLC) by a Low-Energy Method, Comparison of Release Kinetics and Molecular Dynamics Simulation.

    Ortiz, Andrea C / Yañez, Osvaldo / Salas-Huenuleo, Edison / Morales, Javier O

    Pharmaceutics

    2021  Volume 13, Issue 4

    Abstract: Lipid nanocarriers have a great potential for improving the physicochemical characteristics and behavior of poorly water-soluble drugs, such as aqueous dispersibility and oral bioavailability. This investigation presents a novel nanostructured lipid ... ...

    Abstract Lipid nanocarriers have a great potential for improving the physicochemical characteristics and behavior of poorly water-soluble drugs, such as aqueous dispersibility and oral bioavailability. This investigation presents a novel nanostructured lipid carrier (NLC) based on a mixture of solid lipid glycerides, fatty acid esters of PEG 1500 (Gelucire
    Language English
    Publishing date 2021-04-10
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527217-2
    ISSN 1999-4923
    ISSN 1999-4923
    DOI 10.3390/pharmaceutics13040531
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Machine Learning-Driven Classification of Urease Inhibitors Leveraging Physicochemical Properties as Effective Filter Criteria.

    Morales, Natalia / Valdés-Muñoz, Elizabeth / González, Jaime / Valenzuela-Hormazábal, Paulina / Palma, Jonathan M / Galarza, Christian / Catagua-González, Ángel / Yáñez, Osvaldo / Pereira, Alfredo / Bustos, Daniel

    International journal of molecular sciences

    2024  Volume 25, Issue 8

    Abstract: Urease, a pivotal enzyme in nitrogen metabolism, plays a crucial role in various microorganisms, including the ... ...

    Abstract Urease, a pivotal enzyme in nitrogen metabolism, plays a crucial role in various microorganisms, including the pathogenic
    MeSH term(s) Urease/antagonists & inhibitors ; Urease/chemistry ; Urease/metabolism ; Machine Learning ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Helicobacter pylori/enzymology ; Helicobacter pylori/drug effects ; Algorithms ; Humans
    Chemical Substances Urease (EC 3.5.1.5) ; Enzyme Inhibitors
    Language English
    Publishing date 2024-04-13
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms25084303
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  5. Article ; Online: Discovery of New 2-Phenylamino-3-acyl-1,4-naphthoquinones as Inhibitors of Cancer Cells Proliferation: Searching for Intra-Cellular Targets Playing a Role in Cancer Cells Survival.

    Benites, Julio / Valderrama, Jaime A / Contreras, Álvaro / Enríquez, Cinthya / Pino-Rios, Ricardo / Yáñez, Osvaldo / Buc Calderon, Pedro

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 11

    Abstract: A series of 2-phenylamino-3-acyl-1,4-naphtoquinones were evaluated regarding their in vitro antiproliferative activities using DU-145, MCF-7 and T24 cancer cells. Such activities were discussed in terms of molecular descriptors such as half-wave ... ...

    Abstract A series of 2-phenylamino-3-acyl-1,4-naphtoquinones were evaluated regarding their in vitro antiproliferative activities using DU-145, MCF-7 and T24 cancer cells. Such activities were discussed in terms of molecular descriptors such as half-wave potentials, hydrophobicity and molar refractivity. Compounds
    MeSH term(s) Naphthoquinones/pharmacology ; Molecular Docking Simulation ; Cell Line, Tumor ; Cell Proliferation ; Apoptosis ; TOR Serine-Threonine Kinases/metabolism ; Antineoplastic Agents/pharmacology ; Drug Screening Assays, Antitumor ; Neoplasms
    Chemical Substances Naphthoquinones ; TOR Serine-Threonine Kinases (EC 2.7.11.1) ; Antineoplastic Agents
    Language English
    Publishing date 2023-05-24
    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/molecules28114323
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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  6. Article ; Online: Searching for double σ- and π-aromaticity in borazine derivatives.

    Pino-Rios, Ricardo / Vásquez-Espinal, Alejandro / Yañez, Osvaldo / Tiznado, William

    RSC advances

    2020  Volume 10, Issue 50, Page(s) 29705–29711

    Abstract: Inspired by the double-aromatic (σ and π) ... ...

    Abstract Inspired by the double-aromatic (σ and π) C
    Language English
    Publishing date 2020-08-11
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d0ra05939k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Removal of highly concentrated methylene blue dye by cellulose nanofiber biocomposites.

    Oyarce, Estefanía / Cantero-López, Plinio / Roa, Karina / Boulett, Andrés / Yáñez, Osvaldo / Santander, Paola / Del C Pizarro, Guadalupe / Sánchez, Julio

    International journal of biological macromolecules

    2023  Volume 238, Page(s) 124045

    Abstract: The contamination of water by dyes in high concentrations is a worldwide concern, and it has prompted the development of efficient, economical, and environmentally friendly materials and technologies for water purification. The hydration and adsorption ... ...

    Abstract The contamination of water by dyes in high concentrations is a worldwide concern, and it has prompted the development of efficient, economical, and environmentally friendly materials and technologies for water purification. The hydration and adsorption capacity for methylene blue (MB) in biocomposites (BCs) based on cellulose nanofiber (CNF) (0 to 2 wt%) were studied. BCs were synthesized through a simple and straightforward route and characterized by spectroscopy, microscopic techniques and thermogravimetric analysis, among others. Hydration studies showed that BCs prepared with 2 wt% of CNF can absorb large volumes of water, approximately 2274 % in the case of poly 2-acrylamide-2-methyl-1-propanesulfonic acid (PAMPS)-CNF and 2408 % in poly sodium 4-styrene sulfonate (PSSNa)-CNF. These BCs showed outstanding adsorption capacity for highly concentrated MB solutions (4536 mg g
    MeSH term(s) Cellulose/chemistry ; Coloring Agents ; Methylene Blue/chemistry ; Nanofibers/chemistry ; Pathogen-Associated Molecular Pattern Molecules ; Water Pollutants, Chemical/chemistry ; Adsorption ; Methylcellulose ; Water/chemistry ; Kinetics
    Chemical Substances Cellulose (9004-34-6) ; Coloring Agents ; Methylene Blue (T42P99266K) ; Pathogen-Associated Molecular Pattern Molecules ; Water Pollutants, Chemical ; Methylcellulose (9004-67-5) ; Water (059QF0KO0R)
    Language English
    Publishing date 2023-03-18
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 282732-3
    ISSN 1879-0003 ; 0141-8130
    ISSN (online) 1879-0003
    ISSN 0141-8130
    DOI 10.1016/j.ijbiomac.2023.124045
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    In stock of ZB MED Cologne/Königswinter

    Zs.B 2374: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

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  8. Article ; Online: Li

    Inostroza, Diego / Leyva-Parra, Luis / Pino-Rios, Ricardo / Solar-Encinas, José / Vásquez-Espinal, Alejandro / Pan, Sudip / Merino, Gabriel / Yañez, Osvaldo / Tiznado, William

    Angewandte Chemie (International ed. in English)

    2023  Volume 63, Issue 5, Page(s) e202317848

    Abstract: When (4n +2) π-electrons are located in single planar ring, it conventionally qualifies as aromatic. According Hückel's rule, systems possessing ten π-electrons should be aromatic. Herein we report a series of ... ...

    Abstract When (4n +2) π-electrons are located in single planar ring, it conventionally qualifies as aromatic. According Hückel's rule, systems possessing ten π-electrons should be aromatic. Herein we report a series of D
    Language English
    Publishing date 2023-12-27
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.202317848
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  9. Article ; Online: Discovery of New 2-Phenylamino-3-acyl-1,4-naphthoquinones as Inhibitors of Cancer Cells Proliferation

    Julio Benites / Jaime A. Valderrama / Álvaro Contreras / Cinthya Enríquez / Ricardo Pino-Rios / Osvaldo Yáñez / Pedro Buc Calderon

    Molecules, Vol 28, Iss 4323, p

    Searching for Intra-Cellular Targets Playing a Role in Cancer Cells Survival

    2023  Volume 4323

    Abstract: A series of 2-phenylamino-3-acyl-1,4-naphtoquinones were evaluated regarding their in vitro antiproliferative activities using DU-145, MCF-7 and T24 cancer cells. Such activities were discussed in terms of molecular descriptors such as half-wave ... ...

    Abstract A series of 2-phenylamino-3-acyl-1,4-naphtoquinones were evaluated regarding their in vitro antiproliferative activities using DU-145, MCF-7 and T24 cancer cells. Such activities were discussed in terms of molecular descriptors such as half-wave potentials, hydrophobicity and molar refractivity. Compounds 4 and 11 displayed the highest antiproliferative activity against the three cancer cells and were therefore further investigated. The in silico prediction of drug likeness, using pkCSM and SwissADME explorer online, shows that compound 11 is a suitable lead molecule to be developed. Moreover, the expressions of key genes were studied in DU-145 cancer cells. They include genes involved in apoptosis ( Bcl-2 ), tumor metabolism regulation ( mTOR ), redox homeostasis ( GSR ), cell cycle regulation ( CDC25A ), cell cycle progression ( TP53 ), epigenetic ( HDAC4 ), cell-cell communication ( CCN2 ) and inflammatory pathways ( TNF ). Compound 11 displays an interesting profile because among these genes, mTOR was significantly less expressed as compared to control conditions. Molecular docking shows that compound 11 has good affinity with mTOR, unraveling a potential inhibitory effect on this protein. Due to the key role of mTOR on tumor metabolism, we suggest that impaired DU-145 cells proliferation by compound 11 is caused by a reduced mTOR expression (less mTOR protein) and inhibitory activity on mTOR protein.
    Keywords cancer cells ; quinones ; mTOR ; antiproliferative activity ; molecular descriptors ; molecular docking ; Organic chemistry ; QD241-441
    Language English
    Publishing date 2023-05-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: Screening of the antileishmanial and antiplasmodial potential of synthetic 2-arylquinoline analogs.

    Espinosa-Saez, Roger / Robledo, Sara M / Pineda, Tatiana / Murillo, Javier / Zúñiga, César / Yañez, Osvaldo / Cantero-López, Plinio / Saez-Vega, Alex / Guzmán-Teran, Camilo

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 17523

    Abstract: In this study, six analogs of 2-arylquinoline were synthesized and evaluated for their in vitro and in vivo antiplasmodial and leishmanicidal activity. At a later stage, hemolytic activity and druggability were tested in vitro and in silico, respectively, ...

    Abstract In this study, six analogs of 2-arylquinoline were synthesized and evaluated for their in vitro and in vivo antiplasmodial and leishmanicidal activity. At a later stage, hemolytic activity and druggability were tested in vitro and in silico, respectively, observing as a result: firstly, compounds showed half-maximal effective concentration (EC
    MeSH term(s) Animals ; Antimalarials/pharmacology ; Antimalarials/chemistry ; Molecular Docking Simulation ; Antiprotozoal Agents/pharmacology ; Antiprotozoal Agents/chemistry ; Leishmania ; Structure-Activity Relationship
    Chemical Substances Antimalarials ; Antiprotozoal Agents
    Language English
    Publishing date 2023-10-16
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-023-43805-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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