Rezultaty - "Molecular Modelling"

Design, synthesis and evaluation of quinolinone derivatives containing dithiocarbamate moiety as multifunctional AChE inhibitors for the treatment of Alzheimer's disease od Jie Fu, Fengqi Bao, Min Gu, Jing Liu, Zhipeng Zhang, Jiaoli Ding, Sai-Sai Xie, Jinsong Ding

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ATP-Binding Pocket-Targeted Suppression of Src and Syk by Luteolin Contributes to Its Anti-Inflammatory Action od Jeong-Oog Lee, Deok Jeong, Mi-Yeon Kim, Jae Youl Cho

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Whey Protein Isolate-Xylose Maillard-Based Conjugates with Tailored Microencapsulation Capacity of Flavonoids from Yellow Onions Skins od Ștefania Adelina Milea, Iuliana Aprodu, Elena Enachi, Vasilica Barbu, Gabriela Râpeanu, Gabriela Elena Bahrim, Nicoleta Stănciuc

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Discovery of sulfonamide-tethered isatin derivatives as novel anticancer agents and VEGFR-2 inhibitors od Moataz A. Shaldam, Hadia Almahli, Andrea Angeli, Rehab Mustafa Badi, Eman F. Khaleel, Abdelrahman I. Zain-Alabdeen, Zainab M. Elsayed, Eslam B. Elkaeed, Rofaida Salem, Claudiu T. Supuran, Wagdy M. Eldehna, Haytham O. Tawfik

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Novel harmine derivatives as potent acetylcholinesterase and amyloid beta aggregation dual inhibitors for management of Alzheimer's disease od Hongtao Du, Jinzhi Song, Fang Ma, Hongxin Gao, Xinyan Zhao, Renjun Mao, Xiaolong He, Yan Yan

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Mechanistic and biological characterisation of novel N5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania od Andrea Medeiros, Diego Benítez, Ricarda S. Korn, Vinicius C. Ferreira, Exequiel Barrera, Federico Carrión, Otto Pritsch, Sergio Pantano, Conrad Kunick, Camila I. de Oliveira, Oliver C. F. Orban, Marcelo A. Comini

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New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy od Giulio Poli, Miriana Di Stefano, Joan Arias Estevez, Filippo Minutolo, Carlotta Granchi, Antonio Giordano, Salvatore Parisi, Matteo Mauceri, Vincenzo Canzonieri, Marco Macchia, Isabella Caligiuri, Tiziano Tuccinardi, Flavio Rizzolio

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Flavonoids and Acid-Hydrolysis derivatives of Neo-Clerodane diterpenes from Teucrium flavum subsp. glaucum as inhibitors of the HIV-1 reverse transcriptase-associated RNase H funct... od Benedetta Fois, Angela Corona, Enzo Tramontano, Simona Distinto, Elias Maccioni, Rita Meleddu, Pierluigi Caboni, Costantino Floris, Filippo Cottiglia

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Analysis of glycyrrhizin binding to protein HMGB1 od Gérard Vergoten, Christian Bailly

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Design and synthesis of novel quinazolinone-based derivatives as EGFR inhibitors with antitumor activity od Amr Sonousi, Rasha A. Hassan, Eman O. Osman, Amr M. Abdou, Soha H. Emam

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Covalent DNA Binding Is Essential for Gram-Negative Antibacterial Activity of Broad Spectrum Pyrrolobenzodiazepines od Pietro Picconi, Charlotte K. Hind, J. Mark Sutton, Khondaker Miraz Rahman

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Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-β-Lactamases and Synergistic Activity on Resistant Bacteria od Matteo Bersani, Mariacristina Failla, Filippo Vascon, Eleonora Gianquinto, Laura Bertarini, Massimo Baroni, Gabriele Cruciani, Federica Verdirosa, Filomena Sannio, Jean-Denis Docquier, Laura Cendron, Francesca Spyrakis, Loretta Lazzarato, Donatella Tondi

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Optogenetic Tools in the Molecular Spotlight od John T. M. Kennis

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Design, synthesis, in vitro and in vivo evaluation of benzylpiperidine-linked 1,3-dimethylbenzimidazolinones as cholinesterase inhibitors against Alzheimer's disease od Jun Mo, Tingkai Chen, Hongyu Yang, Yan Guo, Qi Li, Yuting Qiao, Hongzhi Lin, Feng Feng, Wenyuan Liu, Yao Chen, Zongliang Liu, Haopeng Sun

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In Vitro and In Silico Analyses of Nicotine Release from a Gelisphere-Loaded Compressed Polymeric Matrix for Potential Parkinson's Disease Interventions od Pradeep Kumar, Yahya E. Choonara, Lisa C. du Toit, Neha Singh, Viness Pillay

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Design, synthesis and in vitro and in vivo biological evaluation of flurbiprofen amides as new fatty acid amide hydrolase/cyclooxygenase-2 dual inhibitory potential analgesic agent... od Alessandro Deplano, Jessica Karlsson, Federica Moraca, Mona Svensson, Claudia Cristiano, Carmine Marco Morgillo, Christopher J. Fowler, Roberto Russo, Bruno Catalanotti, Valentina Onnis

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Norfloxacin Loaded Lipid Polymer Hybrid Nanoparticles for Oral Administration: Fabrication, Characterization, In Silico Modelling and Toxicity Evaluation od Muhammad Asghar Khan, Shahzeb Khan, Mohsin Kazi, Sultan M. Alshehri, Muhammad Shahid, Shafi Ullah Khan, Zahid Hussain, Muhammad Sohail, Muhammad Shafique, Hajra Afeera Hamid, Mahwish Kamran, Abdelbary Elhissi, Muhammad Wasim, Hnin Ei Thu

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Synthesis and Biological Evaluation of a Series of New Hybrid Amide Derivatives of Triazole and Thiazolidine-2,4-dione od Igor B. Levshin, Alexander Yu. Simonov, Alexey A. Panov, Natalia E. Grammatikova, Alexander I. Alexandrov, Eslam S. M. O. Ghazy, Vasiliy A. Ivlev, Michael O. Agaphonov, Alexey B. Mantsyzov, Vladimir I. Polshakov

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Novel N-methylsulfonyl-indole derivatives: biological activity and COX-2/5-LOX inhibitory effect with improved gastro protective profile and reduced cardio vascular risks od John N. Philoppes, Mohamed A. Abdelgawad, Mohammed A. S. Abourehab, Mohamed Sebak, Mostafa A. Darwish, Phoebe F. Lamie

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Novel hybrids of 1,2,3-triazole-benzoxazole: design, synthesis, and assessment of DprE1 enzyme inhibitors using fluorometric assay and computational analysis od Manisha Singh, Sarah M. Batt, Christian S. C. Canales, Fernando R. Pavan, Sethu Arun Kumar, Handattu S. Akshatha, Meduri Bhagyalalitha, Karthik G. Pujar, Durgesh Bidye, Gurubasavaraj V. Pujar, Gurdyal S. Besra

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