Joaquin Ortega-Castro

All papers authored by Joaquin Ortega-Castro

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2022 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

and 4 other authors

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

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Vinusha Mariwamy, Shiva Kollur

, Bindya Shivananda, Muneera Begum, Chandan Shivamallu, Chandan Dharmashekara, Sushma Pradeep

, Anisha Jain, Shashanka Prasad

, Asad Syed, Abdallah Elgorban

, Salim Al-Rejaie, Joaquín Ortega-Castro

, Juan Frau

, Norma Flores-Holguín

and 1 other authors

N-((1H-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

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2021 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

and 1 other authors

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

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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 and 7 other authors

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

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2020 Laura Mariño

, Rafael Ramis

, Rodrigo Casasnovas

, Joaquín Ortega-Castro

, Bartolomé Vilanova

, Juan Frau

, Miquel Adrover

Unravelling the effect ofN(ε)-(carboxyethyl)lysine on the conformation, dynamics and aggregation propensity of α-synuclein

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2019 Humberto Martínez-Orozco, Laura Mariño

, Ana Belén Uceda, Joaquín Ortega-Castro

, Bartolomé Vilanova, Juan Frau, Miquel Adrover

Nitration and Glycation Diminish the α-Synuclein Role in the Formation and Scavenging of Cu2+-Catalyzed Reactive Oxygen Species

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Rafael Ramis, Joaquín Ortega-Castro

, Rodrigo Casasnovas, Laura Mariño

, Bartolomé Vilanova, Miquel Adrover

, Juan Frau

A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein

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Rafael Ramis

, Rodrigo Casasnovas

, Laura Mariño

, Juan Frau

, Miquel Adrover

, Bartolomé Vilanova, Nelaine Mora‐Diez

, Joaquin Ortega‐Castro

A density functional theory study of the free‐radical scavenging activity of aminoguanidine. Comparison with its reactive carbonyl compound and metal scavenging activities

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2017 Laura Mariño

, Carlos Andrés Maya-Aguirre, Kris Pauwels

, Bartolomé Vilanova, Joaquin Ortega-Castro

, Juan Frau, Josefa Donoso, Miquel Adrover

Glycation of Lysozyme by Glycolaldehyde Provides New Mechanistic Insights in Diabetes-Related Protein Aggregation

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All papers authored by Joaquin Ortega-Castro