Suchergebnisse - "molecular dynamics"

Evaluation of binding mechanism of dietary phytochemical, capsaicin, with human transferrin: targeting neurodegenerative diseases therapeutics von Mohammed Alrouji, Fahad A. Alhumaydhi, Kumar Venkatesan, Sharaf E. Sharaf, Moyad Shahwan, Anas Shamsi

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Carbonic anhydrase inhibitory activity of phthalimide-capped benzene sulphonamide derivatives von Deepak Shilkar, Mohd Usman Mohd Siddique, Silvia Bua, Sabina Yasmin, Mrunali Patil, Ajay Kumar Timiri, Claudiu T. Supuran, Venkatesan Jayaprakash

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Metabolomic Profiling of <i>Leptadenia reticulata</i>: Unveiling Therapeutic Potential for Inflammatory Diseases through Network Pharmacology and Docking Studies von Yashaswini Mallepura Adinarayanaswamy, Deepthi Padmanabhan, Purushothaman Natarajan, Senthilkumar Palanisamy

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In Silico Screening Identification of Fatty Acids and Fatty Acid Derivatives with Antiseizure Activity: In Vitro and In Vivo Validation von Emilia Mercedes Barrionuevo, Estefanía Peralta, Agustín Manzur De Nardi, Juliana Monat, Maximiliano José Fallico, Manuel Augusto Llanos, Luciana Gavernet, Emilio Román Mustafá, Pedro Martin, Alan Talevi

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Experimental and computational models to understand protein-ligand, metal-ligand and metal-DNA interactions pertinent to targeted cancer and other therapies von Vaishali M. Patil, Satya P. Gupta, Neeraj Masand, Krishnan Balasubramanian

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A highly selective C-rhamnosyltransferase from Viola tricolor and insights into its mechanisms von Bo-Yun Han, Zi-Long Wang, Junhao Li, Qing Jin, Hao-Tian Wang, Kuan Chen, Yang Yi, Hans Ågren, Xue Qiao, Min Ye

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Mechanistic Insights into the Antibiofilm Mode of Action of Ellagic Acid von Alessandro Ratti, Enrico M. A. Fassi, Fabio Forlani, Matteo Mori, Federica Villa, Francesca Cappitelli, Jacopo Sgrignani, Gabriella Roda, Andrea Cavalli, Stefania Villa, Giovanni Grazioso

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Novel insights on saccharin- and acesulfame-based carbonic anhydrase inhibitors: design, synthesis, modelling investigations and biological activity evaluation von Paolo Guglielmi, Giulia Rotondi, Daniela Secci, Andrea Angeli, Paola Chimenti, Alessio Nocentini, Alessandro Bonardi, Paola Gratteri, Simone Carradori, Claudiu T. Supuran

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Antimicrobial Contribution of Chitosan Surface-Modified Nanoliposomes Combined with Colistin against Sensitive and Colistin-Resistant Clinical <i>Pseudomonas aeruginosa</i> von Valentina Laverde-Rojas, Yamil Liscano, Sandra Patricia Rivera-Sánchez, Ivan Darío Ocampo-Ibáñez, Yeiston Betancourt, Maria José Alhajj, Cristhian J. Yarce, Constain H. Salamanca, Jose Oñate-Garzón

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A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules von Marialuigia Fantacuzzi, Roberto Paciotti, Mariangela Agamennone

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The effect of amantadine on an ion channel protein from Chikungunya virus. von Debajit Dey, Shumaila Iqbal Siddiqui, Prabhudutta Mamidi, Sukanya Ghosh, Chandra Shekhar Kumar, Soma Chattopadhyay, Subhendu Ghosh, Manidipa Banerjee

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Expression, Purification and Characterization of Anti-FGF7 Domain Antibody Identified Using Phage Display Technique von Ali Akbar Alizadeh, Mona Roshani, Omid Jamshidi Kandjani, Milad Soltani-Saif, Siavoush Dastmalchi

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GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions von Andreas Mecklenfeld, Gabriele Raabe

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Analytical and Computational Methods for the Estimation of Drug-Polymer Solubility and Miscibility in Solid Dispersions Development von Djordje Medarević, Jelena Djuriš, Panagiotis Barmpalexis, Kyriakos Kachrimanis, Svetlana Ibrić

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Enhancement of the Physical Stability of Amorphous Sildenafil in a Binary Mixture, with either a Plasticizing or Antiplasticizing Compound von Justyna Knapik-Kowalczuk, Krzysztof Chmiel, Justyna Pacułt, Klaudia Bialek, Lidia Tajber, Marian Paluch

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In Silico Screening of Drugs That Target Different Forms of E Protein for Potential Treatment of COVID-19 von Gema Lizbeth Ramírez Salinas, Alejandro López Rincón, Jazmín García Machorro, José Correa Basurto, Marlet Martínez Archundia

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New azolyl-derivatives as multitargeting agents against breast cancer and fungal infections: synthesis, biological evaluation and docking study von Cristina Maccallini, Marialucia Gallorini, Francesca Sisto, Atilla Akdemir, Alessandra Ammazzalorso, Barbara De Filippis, Marialuigia Fantacuzzi, Letizia Giampietro, Simone Carradori, Amelia Cataldi, Rosa Amoroso

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Computational design and validation of siRNA molecules to silence oncogenic CTNNB1 mRNA as a potential therapeutic strategy against hepatitis B/C virus-associated hepatocellular ca... von Lauren Emily Fajardo, Mark Andrian Macalalad, Nyzar Mabeth Odchimar, John Christian de Guzman, Fredmoore Orosco

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Benzaldehyde, A New Absorption Promoter, Accelerating Absorption on Low Bioavailability Drugs Through Membrane Permeability von Wen Wen, Wen Wen, Jie Luo, Jie Luo, Ping Li, Ping Li, Wenge Huang, Wenge Huang, Ping Wang, Ping Wang, Shijun Xu, Shijun Xu

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Repurposing FDA Drug Compounds against Breast Cancer by Targeting EGFR/HER2 von Irving Balbuena-Rebolledo, Itzia Irene Padilla-Martínez, Martha Cecilia Rosales-Hernández, Martiniano Bello

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