Search Results - "structure–activity relationship"

Heparin Precursors with Reduced Anticoagulant Properties Retain Antiviral and Protective Effects That Potentiate the Efficacy of Sofosbuvir against Zika Virus Infection in Human Ne... by Isabel Pagani, Linda Ottoboni, Paola Panina-Bordignon, Gianvito Martino, Guido Poli, Sarah Taylor, Jeremy E. Turnbull, Edwin Yates, Elisa Vicenzi

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Mode of Action Analyses of Neferine, a Bisbenzylisoquinoline Alkaloid of Lotus (Nelumbo nucifera) against Multidrug-Resistant Tumor Cells by Onat Kadioglu, Betty Y. K. Law, Simon W. F. Mok, Su-Wei Xu, Thomas Efferth, Vincent K. W. Wong

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Synthesis, Characterization, and Biological Evaluation of New Derivatives Targeting MbtI as Antitubercular Agents by Matteo Mori, Giovanni Stelitano, Laurent R. Chiarelli, Giulia Cazzaniga, Arianna Gelain, Daniela Barlocco, Elena Pini, Fiorella Meneghetti, Stefania Villa

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2-Aminobenzoxazole-appended coumarins as potent and selective inhibitors of tumour-associated carbonic anhydrases by Alma Fuentes-Aguilar, Penélope Merino-Montiel, Sara Montiel-Smith, Socorro Meza-Reyes, José Luis Vega-Báez, Adrián Puerta, Miguel X. Fernandes, José M. Padrón, Andrea Petreni, Alessio Nocentini, Claudiu T. Supuran, Óscar López, José G. Fernández-Bolaños

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Synthesis and Assessment of the In Vitro and Ex Vivo Activity of Salicylate Synthase (Mbti) Inhibitors as New Candidates for the Treatment of Mycobacterial Infections by Matteo Mori, Giovanni Stelitano, Anna Griego, Laurent R. Chiarelli, Giulia Cazzaniga, Arianna Gelain, Elena Pini, Marina Camera, Paola Canzano, Andrea Fumagalli, Edoardo Scarpa, Chiara Cordiglieri, Loris Rizzello, Stefania Villa, Fiorella Meneghetti

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Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABAA Receptor by Molecular Modeling by Natesh Singh, Natesh Singh, Bruno O. Villoutreix

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Kinome-wide polypharmacology profiling of small molecules by multi-task graph isomorphism network approach by Lingjie Bao, Zhe Wang, Zhenxing Wu, Hao Luo, Jiahui Yu, Yu Kang, Dongsheng Cao, Tingjun Hou

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Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis by Syed Nasir Abbas Bukhari, Mervat Abdelaziz Elsherif, Kashaf Junaid, Hasan Ejaz, Pravej Alam, Abdul Samad, Rahul D. Jawarkar, Vijay H. Masand

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Design, Synthesis, Antimicrobial Properties, and Molecular Docking of Novel Furan-Derived Chalcones and Their 3,5-Diaryl-∆²-pyrazoline Derivatives by Inas S. Mahdi, Ahmed Mutanabbi Abdula, Abdulkadir M. Noori Jassim, Younis Baqi

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Design, synthesis and biological activity of N4-phenylsubstituted-7H-pyrrolo[2,3-d]pyrimidin-4-amines as dual inhibitors of aurora kinase A and epidermal growth factor receptor kin... by Sonali Kurup, Bradley McAllister, Pavlina Liskova, Trusha Mistry, Anthony Fanizza, Dan Stanford, Jolanta Slawska, Ulrich Keller, Alexander Hoellein

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Functionalized methoxy quinoline derivatives: Experimental and in silico evaluation as new antiepileptic, anti-Alzheimer, antibacterial and antifungal drug candidates by Bilge Çi̇ftci̇, Salih Ökten, Ümit Muhammet Koçyi̇ği̇t, Vildan Enisoğlu Atalay, Mehmet Ataş, Osman Çakmak

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Discovery of New 1,4,6-Trisubstituted-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridines with Anti-Tumor Efficacy in Mouse Model of Breast Cancer by Maria Georgiou, Nikolaos Lougiakis, Roxane Tenta, Katerina Gioti, Stavroula Baritaki, Lydia-Evangelia Gkaralea, Elisavet Deligianni, Panagiotis Marakos, Nicole Pouli, Dimitris Stellas

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Purposeful search and characteristic of anti-inflammatory activity of sodium (3-R-2-оxo-2Н-[1,2,4]triazino[2,3-c]quinazolin-6-yl)alkylcarboxylates and their halogen containing anal... by V. V. Yakubovska, N. М. Seredinska, О. Yu. Voskoboynik, G. І. Stepanyuk, S. І. Kovalenko

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2D-QSAR, Docking, Molecular dynamics simulations with the MM/GBSA approaches against Grave's disease and PTPN22 by Emmanuel Israel Edache, Adamu Uzairu, Paul Andrew Mamza, Gideon Adamu Shallangwa

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Pharmacomodulations around an anti-Alzheimer drug-candidate by Sylvain Marc, Christophe Mésangeau, Mathilde Coevoet, Amélie Barczyk, Stéphane Burlet, Philippe Verwaerde, Cecilia Estrella, Cyrille Brantis, Nicolas Sergeant, Pascal Carato, Patricia Melnyk

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Nitro-benzylideneoxymorphone, a bifunctional mu and delta opioid receptor ligand with high mu opioid receptor efficacy by Keith M. Olson, Andrea L. Devereaux, Payal Chatterjee, Savanah L. Saldaña-Shumaker, Amanda Shafer, Adam Plotkin, Ram Kandasamy, Ram Kandasamy, Alexander D. MacKerell, John R. Traynor, John R. Traynor, Christopher W. Cunningham

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Experimental and Molecular Docking Studies of Cyclic Diphenyl Phosphonates as DNA Gyrase Inhibitors for Fluoroquinolone-Resistant Pathogens by Neveen M. Saleh, Yasmine S. Moemen, Sara H. Mohamed, Ghady Fathy, Abdullah A. S. Ahmed, Ahmed A. Al-Ghamdi, Sami Ullah, Ibrahim El-Tantawy El Sayed

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Novel Selective IDO1 Inhibitors with Isoxazolo[5,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one Scaffold by Ana Dolšak, Tomaž Bratkovič, Larisa Mlinarič, Eva Ogorevc, Urban Švajger, Stanislav Gobec, Matej Sova

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Discovery of AI-2 Quorum Sensing Inhibitors Targeting the LsrK/HPr Protein-Protein Interaction Site by Molecular Dynamics Simulation, Virtual Screening, and Bioassay Evaluation by Yijie Xu, Chunlan Zeng, Huiqi Wen, Qianqian Shi, Xu Zhao, Qingbin Meng, Xingzhou Li, Junhai Xiao

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Synthesis, in vitro and in vivo biological evaluation of novel lappaconitine derivatives as potential anti-inflammatory agents by Lei Pang, Chun-Yan Liu, Guo-Hua Gong, Zhe-Shan Quan

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