検索結果 - "Molecular Modelling"

New Insights into the Stereochemical Requirements of the Bombesin BB1 Receptor Antagonists Binding 著者: Bahareh Rasaeifar, Patricia Gomez-Gutierrez, Juan J. Perez

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Synthesis, spectroscopic studies of novel N-substituted phthalimides and evaluation of their antibacterial, antioxidant, DNA binding and molecular docking studies 著者: Pattan Sirajuddin Nayab, Madhusudana Pulaganti, Suresh Kumar Chitta, Mohammad Oves, Rahisuddin

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Anticrystal Engineering of Ketoprofen and Ester Local Anesthetics: Ionic Liquids or Deep Eutectic Mixtures? 著者: Anita Umerska, Klaudia Bialek, Julija Zotova, Marcin Skotnicki, Lidia Tajber

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Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones 著者: M. Shaheer Malik, Shaikh Faazil, Meshari A. Alsharif, Qazi Mohammad Sajid Jamal, Jabir H. Al-Fahemi, Amrita Banerjee, Arpita Chattopadhyay, Samir Kumar Pal, Ahmed Kamal, Saleh A. Ahmed

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Discovery of novel dual-active 3-(4-(dimethylamino)phenyl)-7-aminoalcoxy-coumarin as potent and selective acetylcholinesterase inhibitor and antioxidant 著者: Gabriela Alves de Souza, Soraia John da Silva, Catarina de Nigris Del Cistia, Paulo Pitasse-Santos, Lucas de Oliveira Pires, Yulli Moraes Passos, Yraima Cordeiro, Cristiane Martins Cardoso, Rosane Nora Castro, Carlos Mauricio R. Sant'Anna, Arthur Eugen Kümmerle

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Synthesis, Characterization, and Anticancer Activity of Benzothiazole Aniline Derivatives and Their Platinum (II) Complexes as New Chemotherapy Agents 著者: Md. Kamrul Islam, Ah-Rum Baek, Bokyung Sung, Byeong-Woo Yang, Garam Choi, Hyun-Jin Park, Yeoun-Hee Kim, Minsup Kim, Seongmin Ha, Gang-Ho Lee, Hee-Kyung Kim, Yongmin Chang

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Rational use of antioxidants in solid oral pharmaceutical preparations 著者: Maísa Teodoro Celestino, Uiaran de Oliveira Magalhães, Aline Guerra Manssour Fraga, Flávia Almada do Carmo, Viviane Lione, Helena Carla Castro, Valeria Pereira de Sousa, Carlos Rangel Rodrigues, Lucio Mendes Cabral

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Chemical and Biological Investigations of <i>Allium scorodoprasum</i> L. Flower Extracts 著者: Nikoleta Đorđevski, Abdullahi Ibrahim Uba, Gokhan Zengin, Jelena Božunović, Uroš Gašić, Elizabeta Ristanović, Ana Ćirić, Biljana Nikolić, Dejan Stojković

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Structural Adaptation of the Single-Stranded DNA-Binding Protein C-Terminal to DNA Metabolizing Partners Guides Inhibitor Design 著者: Attila Tököli, Brigitta Bodnár, Ferenc Bogár, Gábor Paragi, Anasztázia Hetényi, Éva Bartus, Edit Wéber, Zsófia Hegedüs, Zoltán Szabó, Gábor Kecskeméti, Gerda Szakonyi, Tamás A. Martinek

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Neuroprotective Effects of Tripeptides-Epigenetic Regulators in Mouse Model of Alzheimer's Disease 著者: Vladimir Khavinson, Anastasiia Ilina, Nina Kraskovskaya, Natalia Linkova, Nina Kolchina, Ekaterina Mironova, Alexander Erofeev, Michael Petukhov

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Ocotea daphnifolia: phytochemical investigation, in vitro dual cholinesterase inhibition, and molecular docking studies 著者: Raquel Bianca Marchesine de Almeida, Rodrigo Souza Conceição, Kryzia Santana da Silva, Manoelito Coelho dos Santos Junior, Alexsandro Branco, Mariana Borges Botura

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Stereoselectivity of Aldose Reductase in the Reduction of Glutathionyl-Hydroxynonanal Adduct 著者: Francesco Balestri, Vito Barracco, Giovanni Renzone, Tiziano Tuccinardi, Christian Silvio Pomelli, Mario Cappiello, Marco Lessi, Rossella Rotondo, Fabio Bellina, Andrea Scaloni, Umberto Mura, Antonella Del Corso, Roberta Moschini

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Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm 著者: Wei Wang, Shuo Feng, Zhuyifan Ye, Hanlu Gao, Jinzhong Lin, Defang Ouyang

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The Solubility Studies and the Complexation Mechanism Investigations of Biologically Active Spiro[cyclopropane-1,3'-oxindoles] with β-Cyclodextrins 著者: Anna A. Kravtsova, Anna A. Skuredina, Alexander S. Malyshev, Irina M. Le-Deygen, Elena V. Kudryashova, Ekaterina M. Budynina

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Orally Disintegrating Tablets Containing Melt Extruded Amorphous Solid Dispersion of Tacrolimus for Dissolution Enhancement 著者: Poovizhi Ponnammal, Parijat Kanaujia, Yin Yani, Wai Kiong Ng, Reginald B. H. Tan

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In Silico Identification and Biological Evaluation of Antioxidant Food Components Endowed with Human Carbonic Anhydrase IX and XII Inhibition 著者: Giosuè Costa, Annalisa Maruca, Roberta Rocca, Francesca Alessandra Ambrosio, Emanuela Berrino, Fabrizio Carta, Francesco Mesiti, Alessandro Salatino, Delia Lanzillotta, Francesco Trapasso, Anna Artese, Stefano Alcaro, Claudiu T. Supuran

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Improving the solubility, activity, and stability of reteplase using in silico design of new variants 著者: Hooria Seyedhosseini Ghaheh, Mohamad Reza Ganjalikhany, Parichehreh Yaghmaei, Morteza Pourfarzam, Hamid Mir Mohammad Sadeghi

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Interaction of obtusilactone B and related butanolide lactones with the barrier-to-autointegration factor 1 (BAF1). A computational study 著者: Christian Bailly, Gérard Vergoten

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Distinction between 2'- and 3'-Phosphate Isomers of a Fluorescent NADPH Analogue Led to Strong Inhibition of Cancer Cells Migration 著者: Raoul Manuel, Michelle de Souza Lima, Sébastien Dilly, Sylvain Daunay, Patricia Abbe, Elodie Pramil, Stéphanie Solier, Fabienne Guillaumond, Sarah-Simha Tubiana, Alexandre Escargueil, João Antonio Pêgas Henriques, Nathalie Ferrand, Irène Erdelmeier, Jean-Luc Boucher, Gildas Bertho, Israel Agranat, Stéphane Rocchi, Michèle Sabbah, Anny Slama Schwok

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Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With In Vivo Activity and Favorable Pharmacokinetics 著者: Ivani Pauli, Celso de O. Rezende Jr, Brian W. Slafer, Marco A. Dessoy, Mariana L. de Souza, Leonardo L. G. Ferreira, Abraham L. M. Adjanohun, Rafaela S. Ferreira, Luma G. Magalhães, Renata Krogh, Simone Michelan-Duarte, Ricardo Vaz Del Pintor, Fernando B. R. da Silva, Fabio C. Cruz, Luiz C. Dias, Adriano D. Andricopulo

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