Showing 1 - 15 results of 15 for search 'Joaquín Ortega-Castro', query time: 0.05s Refine Results
  1. 1
    Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs

    Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs by Norma Flores-Holguín, Joaquín Ortega-Castro, Juan Frau, Daniel Glossman-Mitnik

    Published 2022-01-01
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  2. 2
    Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-<i>p</i>-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

    Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-<i>p</i>-Iodophenyl Tetramethyl Calix[4]pyrrole: On... by Dragoș Dăbuleanu, Antonio Bauzá, Joaquín Ortega-Castro, Eduardo C. Escudero-Adán, Pablo Ballester, Antonio Frontera

    Published 2020-01-01
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  3. 3
    How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity

    How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity by Rafael Ramis, Joaquín Ortega-Castro, Carmen Caballero, Rodrigo Casasnovas, Antonia Cerrillo, Bartolomé Vilanova, Miquel Adrover, Juan Frau

    Published 2019-09-01
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  4. 4
    Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate

    Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate by Noemi Hernandez-Haro, Christian Solis-Calero, Rodrigo Casasnovas, Christophe Morell, Andre Grand, Juan Frau, Joaquín Ortega-Castro

    Published 2022-09-01
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  5. 5
    Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4‑Aryl-2-pyridone Derivatives

    Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4‑Aryl-2-pyridone Derivatives by Tripti Mandal, Sudipta Pathak, Arka Dey, Md. Maidul Islam, Saikat Kumar Seth, Abdulla Al Masum, Joaquín Ortega-Castro, Partha Pratim Ray, Antonio Frontera, Subrata Mukhopadhyay

    Published 2019-04-01
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  6. 6
    Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3<i>H</i>)-Quinazolinone-Derived Schiff Base

    Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3<i>H</i>)-Quinazolin... by Ubale Panchsheela Ashok, Shiva Prasad Kollur, Nishad Anil, Bansode Prakash Arun, Sanjay Namdev Jadhav, Sanjay Sarsamkar, Vasant Baburao Helavi, Asha Srinivasan, Sandeep Kaulage, Ravindra Veerapur, Sarah Al-Rashed, Asad Syed, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

    Published 2020-12-01
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  7. 7
    <em>N</em>-((1<em>H</em>-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations

    <em>N</em>-((1<em>H</em>-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial E... by Vinusha H. Mariwamy, Shiva Prasad Kollur, Bindya Shivananda, Muneera Begum, Chandan Shivamallu, Chandan Dharmashekara, Sushma Pradeep, Anisha S. Jain, Shashanka K. Prasad, Asad Syed, Abdallah M. Elgorban, Salim Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

    Published 2022-02-01
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  8. 8
    Synthesis, Computational Pharmacokinetics Report, Conceptual DFT-Based Calculations and Anti-Acetylcholinesterase Activity of Hydroxyapatite Nanoparticles Derived From Acorus Calamus Plant Extract

    Synthesis, Computational Pharmacokinetics Report, Conceptual DFT-Based Calculations and Anti-Acetylcholinesterase Activity of Hydroxyapatite Nanoparticles Derived From Acorus Calam... by Sushma Pradeep, Anisha S. Jain, Chandan Dharmashekara, Shashanka K. Prasad, Nagaraju Akshatha, R. Pruthvish, Raghavendra G Amachawadi, Chandrashekar Srinivasa, Asad Syed, Abdallah M. Elgorban, Abdulaziz A. Al Kheraif, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2021-10-01
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  9. 9
    Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies.

    Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptu... by Hittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudarshana Brijesh Singh, Chandan Shivamallu, Sushma Pradeep, C S Shivakumar, Satish Anandan, Anjana Thampy, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2022-01-01
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  10. 10
    Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies

    Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptu... by Hittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudarshana Brijesh Singh, Chandan Shivamallu, Sushma Pradeep, C. S. Shivakumar, Satish Anandan, Anjana Thampy, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2022-01-01
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  11. 11
    Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy

    Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy by Bhargav Shreevatsa, Chandan Dharmashekara, Vikas Halasumane Swamy, Meghana V. Gowda, Raghu Ram Achar, Vivek Hamse Kameshwar, Rajesh Kumar Thimmulappa, Asad Syed, Abdallah M. Elgorban, Salim S. Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2021-11-01
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  12. 12
    Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target

    Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target by Satish Anandan, Hittanahallikoppal Gajendramurthy Gowtham, C. S. Shivakumara, Anjana Thampy, Sudarshana Brijesh Singh, Mahadevamurthy Murali, Chandan Shivamallu, Sushma Pradeep, Natarajamurthy Shilpa, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Joaquín Ortega‑Castro, Juan Frau, Norma Flores‑Holguín, Shiva Prasad Kollur, Daniel Glossman‑Mitnik

    Published 2023-02-01
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  13. 13
    Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target

    Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target by Satish Anandan, Hittanahallikoppal Gajendramurthy Gowtham, C. S. Shivakumara, Anjana Thampy, Sudarshana Brijesh Singh, Mahadevamurthy Murali, Chandan Shivamallu, Sushma Pradeep, Natarajamurthy Shilpa, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2022-12-01
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  14. 14
    Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies

    Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies by Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, Hemanth Kumar Naguvanahalli Krishnappa, Ana E. Ledesma, Anisha S. Jain, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik

    Published 2022-11-01
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  15. 15
    Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation

    Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Co... by Vijayakumar Uppar, Sandeep Chandrashekharappa, Chandan Shivamallu, Sushma P, Shiva Prasad Kollur, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Atiyaparveen I. Basarikatti, Mallikarjun Chougala, Mrudula Mohan M, Govindappa Banuprakash, Jayadev, Katharigatta N. Venugopala, Belakatte P. Nandeshwarappa, Ravindra Veerapur, Abdulaziz A. Al-Kheraif, Abdallah M. Elgorban, Asad Syed, Kiran K. Mudnakudu-Nagaraju, Basavaraj Padmashali, Daniel Glossman-Mitnik

    Published 2021-05-01
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