Works by Frau, Juan

Results: 71
    1

    Molecular insights into the in silico discovery of corilagin from Terminalia chebula as a potential dual inhibitor of SARS-CoV-2 structural proteins.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 20, p. 10869, doi. 10.1080/07391102.2022.2158943
    By:
    • Pradeep, Sushma;
    • Patil, Shashank M;
    • Dharmashekara, Chandan;
    • Jain, Anisha;
    • Ramu, Ramith;
    • Shirahatti, Prithvi S;
    • Mandal, Subhankar P;
    • Reddy, Pruthvish;
    • Srinivasa, Chandrashekar;
    • Patil, Sharanagouda S;
    • Ortega-Castro, Joaqúın;
    • Frau, Juan;
    • Flores-Holgúın, Norma;
    • Shivamallu, Chandan;
    • Kollur, Shiva Prasad;
    • Glossman-Mitnik, Daniel
    Publication type:
    Article
    2
    3
    4
    5
    6
    7
    8
    9
    10
    11
    12
    13
    14
    15
    16
    17
    18
    19
    20
    21
    22
    23
    24
    25
    26
    27

    Reviews of Books.

    Published in:
    2023
    By:
    • EHRLICHER, HANNO;
    • ARDILA, J. A. G.;
    • REGUERA, JOSÉ MONTERO;
    • BENSON, KEN;
    • FRAU, JUAN;
    • SCHARM, HEIKE;
    • TABERNERO, RAFAEL HUETE;
    • THORNTON, NIAMH;
    • ROCHA, CAROLINA;
    • TEICHERT, ERIKA
    Publication type:
    Book Review
    28
    29
    30

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

    Published in:
    Molecules, 2022, v. 27, n. 23, p. 8288, doi. 10.3390/molecules27238288
    By:
    • Murali, Mahadevamurthy;
    • Gowtham, Hittanahallikoppal Gajendramurthy;
    • Shilpa, Natarajamurthy;
    • Krishnappa, Hemanth Kumar Naguvanahalli;
    • Ledesma, Ana E.;
    • Jain, Anisha S.;
    • Shati, Ali A.;
    • Alfaifi, Mohammad Y.;
    • Elbehairi, Serag Eldin I.;
    • Achar, Raghu Ram;
    • Silina, Ekaterina;
    • Stupin, Victor;
    • Ortega-Castro, Joaquín;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Amruthesh, Kestur Nagaraj;
    • Shivamallu, Chandan;
    • Kollur, Shiva Prasad;
    • Glossman-Mitnik, Daniel
    Publication type:
    Article
    31

    In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes.

    Published in:
    Molecules, 2022, v. 27, n. 19, p. 6548, doi. 10.3390/molecules27196548
    By:
    • Deodware, Sachin A.;
    • Barache, Umesh B.;
    • Dhale, Pratibha C.;
    • Gaikwad, Kundalkesha D.;
    • Shivamallu, Chandan;
    • Ubale, Panchsheela A.;
    • Shati, Ali A.;
    • Alfaifi, Mohammad Y.;
    • Elbehairi, Serag Eldin I.;
    • Achar, Raghu Ram;
    • Silina, Ekaterina;
    • Stupin, Victor;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Gaikwad, Shashikant H.;
    • Kollur, Shiva Prasad;
    • Glossman-Mitnik, Daniel
    Publication type:
    Article
    32

    N -((1 H -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.

    Published in:
    Molecules, 2022, v. 27, n. 4, p. 1436, doi. 10.3390/molecules27041436
    By:
    • Mariwamy, Vinusha H.;
    • Kollur, Shiva Prasad;
    • Shivananda, Bindya;
    • Begum, Muneera;
    • Shivamallu, Chandan;
    • Dharmashekara, Chandan;
    • Pradeep, Sushma;
    • Jain, Anisha S.;
    • Prasad, Shashanka K.;
    • Syed, Asad;
    • Elgorban, Abdallah M.;
    • Al-Rejaie, Salim;
    • Ortega-Castro, Joaquín;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Glossman-Mitnik, Daniel
    Publication type:
    Article
    33

    Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy.

    Published in:
    Molecules, 2021, v. 26, n. 22, p. 6863, doi. 10.3390/molecules26226863
    By:
    • Shreevatsa, Bhargav;
    • Dharmashekara, Chandan;
    • Swamy, Vikas Halasumane;
    • Gowda, Meghana V.;
    • Achar, Raghu Ram;
    • Kameshwar, Vivek Hamse;
    • Thimmulappa, Rajesh Kumar;
    • Syed, Asad;
    • Elgorban, Abdallah M.;
    • Al-Rejaie, Salim S.;
    • Ortega-Castro, Joaquín;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Shivamallu, Chandan;
    • Kollur, Shiva Prasad;
    • Glossman-Mitnik, Daniel
    Publication type:
    Article
    34

    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

    Published in:
    Molecules, 2021, v. 26, n. 9, p. 2722, doi. 10.3390/molecules26092722
    By:
    • Uppar, Vijayakumar;
    • Chandrashekharappa, Sandeep;
    • Shivamallu, Chandan;
    • P, Sushma;
    • Kollur, Shiva Prasad;
    • Ortega-Castro, Joaquín;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Basarikatti, Atiyaparveen I.;
    • Chougala, Mallikarjun;
    • Mohan M, Mrudula;
    • Banuprakash, Govindappa;
    • Jayadev;
    • Venugopala, Katharigatta N.;
    • Nandeshwarappa, Belakatte P.;
    • Veerapur, Ravindra;
    • Al-Kheraif, Abdulaziz A.;
    • Elgorban, Abdallah M.;
    • Syed, Asad;
    • Mudnakudu-Nagaraju, Kiran K.
    Publication type:
    Article
    35

    Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3 H)-Quinazolinone-Derived Schiff Base.

    Published in:
    Molecules, 2020, v. 25, n. 24, p. 5973, doi. 10.3390/molecules25245973
    By:
    • Ashok, Ubale Panchsheela;
    • Kollur, Shiva Prasad;
    • Anil, Nishad;
    • Arun, Bansode Prakash;
    • Jadhav, Sanjay Namdev;
    • Sarsamkar, Sanjay;
    • Helavi, Vasant Baburao;
    • Srinivasan, Asha;
    • Kaulage, Sandeep;
    • Veerapur, Ravindra;
    • Al-Rashed, Sarah;
    • Syed, Asad;
    • Ortega-Castro, Joaquín;
    • Frau, Juan;
    • Flores-Holguín, Norma;
    • Glossman-Mitnik, Daniel;
    • Collina, Simona;
    • Tylkowski, Bartosz;
    • Bajek, Anna;
    • Roszkowski, Krzysztof
    Publication type:
    Article
    36
    37
    38
    39
    40
    41
    42
    43
    44
    45
    46
    47
    48
    49
    50