„docking“

Suchergebnisse

7.903 Treffer

• Ionization States, Cellular Toxicity and Molecular Modeling Studies of Midazolam Complexed with Trimethyl-β-Cyclodextrin
  Shityakov, Sergey ; Sohajda, Tamás ; Puskas, Istaván ; Roewer, Norbert ; Förster, Carola ; Broscheit, Jens-Albert 2015 Universität Würzburg
• Discover the Power of Lithospermic Acid as Human Carbonic Anhydrase VA and Pancreatic Lipase Inhibitor Through In Silico and In Vitro Studies
  Citriniti, Emanuele Liborio ; Rocca, Roberta ; Costa, Giosuè ; Sciacca, Claudia ; Cardullo, Nunzio ; Muccilli, Vera ; Karioti, Anastasia ; Carta, Fabrizio ; Supuran, Claudiu T. ; Alcaro, Stefano ; Ortuso, Francesco
• Contilistat, a New Multitarget Small Polyfunctionalized Indole Derivative
  Toledano-Pinedo, Mireia ; Diez-Iriepa, Daniel ; Porro-Pérez, Alicia ; Schäker-Hübner, Linda ; Hanl, Maria ; Samadi, Abdelouahid ; Almendros, Pedro ; Iriepa, Isabel ; Rodríguez-Fernández, M. Mercedes ; Griñán-Ferré, Christian ; Siwek, Agata ; Wolak, Małgorzata ; Satała, Grzegorz ; Bojarski, Andrzej J. ; Doroż-Płonka, Agata ; Handzlik, Jadwiga ; Godyń, Justyna ; Knez, Damijan ; Gobec, Stanislav ; Więckowska, Anna ; Hansen, Finn Kristian ; Marco-Contelles, José
• New benzimidazole–indole–amide derivatives as potent α‐glucosidase and acetylcholinesterase inhibitors
  Naimi, Narges ; Karimian, Somaye ; Dastyafteh, Navid ; Noori, Mild ; Mohammadi‐Khanaposhtani, Maryam ; Dadgar, Armin ; Larijani, Bagher ; Lotfi, Vahid ; Çelik, İlhami ; Aktaş, Aydın ; Sadeghian, Nastaran ; Taslimi, Parham ; Mahdavi, Mohammad
• From Deep Learning to the Discovery of Promising VEGFR‐2 Inhibitors
  Yucel, Mehmet Ali ; Adal, Ercan ; Aktekin, Mine Buga ; Hepokur, Ceylan ; Gambacorta, Nicola ; Nicolotti, Orazio ; Algul, Oztekin
• Phthalazine Sulfonamide Derivatives as Carbonic Anhydrase Inhibitors. Synthesis, Biological and in silico Evaluation
  Angeli, Andrea ; Petrou, Anthi ; Kartsev, Viktor G. ; Zubenko, Alexandr ; Divaeva, Lyudmila N. ; Chekrisheva, Victoria ; Iacopetta, Domenico ; Sinicropi, Maria Stefania ; Sirakanyan, Samvel ; Geronikaki, Athina ; Supuran, Claudiu T.
• The wound-healing potential of Olea europaea L. Cv. Arbequina leaves extract: an integrated in vitro, in silico, and in vivo investigation
  Al-Warhi, Tarfah ; Elmaidomy, Abeer H. ; Maher, Sherif A. ; Abu-Baih, Dalia H. ; Selim, Samy ; Albqmi, Mha ; Al-Sanea, Mohammad M. ; Alnusaire, Taghreed S. ; Ghoneim, Mohammed M. ; Mostafa, Ehab M. ; Hussein, Shaimaa ; El-Damasy, Ashraf K. ; Saber, Entesar Ali ; Elrehany, Mahmoud A. ; Sayed, Ahmed M. ; Othman, Eman M. ; El-Sherbiny, Mohamed ; Abdelmohsen, Usama Ramadan 2023 Universität Würzburg
• Caffeic and chlorogenic acids synergistically activate browning program in human adipocytes : implications of AMPK- and PPAR-mediated pathways
  Vasileva, Liliya V. ; Savova, Martina S. ; Amirova, Kristiana M. ; Balcheva-Sivenova, Zhivka ; Ferrante, Claudio ; Orlando, Giustino ; Wabitsch, Martin ; Georgiev, Milen I. 2020 Universität Ulm
• Discovery of Tyrosine Kinase Inhibitors by Docking into an Inactive Kinase Conformation Generated by Molecular Dynamics
  Zhao, Hongtao ; Huang, Danzhi ; Caflisch, Amedeo
• Einfach und frei: Protein‐Ligand‐Docking
  Pippel, Martin ; Scharfe, Michael ; Meier, René ; Sippl, Wolfgang
• Design, synthesis, and biological evaluation of novel benzimidazole derivatives as sphingosine kinase 1 inhibitor
  Khairat, Sarah H. M. ; Omar, Mohamed A. ; Ragab, Fatma A. F. ; Roy, Sonam ; Turab Naqvi, Ahmad A. ; Abdelsamie, Ahmed S. ; Hirsch, Anna K. H. ; Galal, Shadia A. ; Hassan, Md. Imtaiyaz ; El Diwani, Hoda I.
• Thalassosterol, a New Cytotoxic Aromatase Inhibitor Ergosterol Derivative from the Red Sea Seagrass Thalassodendron ciliatum
  Abdelhameed, Reda F. A. ; Habib, Eman S. ; Goda, Marwa S. ; Fahim, John Refaat ; Hassanean, Hashem A. ; Eltamany, Enas E. ; Ibrahim, Amany K. ; AboulMagd, Asmaa M. ; Fayez, Shaimaa ; Abd El-kader, Adel M. ; Al-Warhi, Tarfah ; Bringmann, Gerhard ; Ahmed, Safwat A. ; Abdelmohsen, Usama Ramadan 2021 Universität Würzburg
• Artificial Organelles with Orthogonal‐Responsive Membranes for Protocell Systems: Probing the Intrinsic and Sequential Docking and Diffusion of Cargo into Two Coexisting Avidin–Polymersomes
  Wang, Xueyi ; Moreno, Silvia ; Boye, Susanne ; Wang, Peng ; Liu, Xiaoling ; Lederer, Albena ; Voit, Brigitte ; Appelhans, Dietmar
• Sevoflurane-sulfobutylether-β-cyclodextrin complex: preparation, characterization, cellular toxicity, molecular modeling and blood-brain barrier transport studies
  Shityakov, Sergey ; Puskás, István ; Pápai, Katalin ; Salvador, Ellaine ; Roewer, Norbert ; Förster, Carola ; Broscheit, Jens-Albert 2018 Universität Würzburg
• Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives
  Abuelizz, Hatem A. ; Salahi, Rashad ˜al-œ ; Al-Asri, Jamil ; Mortier, Jérémie ; Marzouk, Mohamed ; Ezzeldin, Essam ; Ali, Azza A. ; Khalil, Mona G. ; Wolber, Gerhard ; Ghabbour, Hazem A. ; Almehizia, Abdulrahman A. ; Abdel Jaleel, Gehad A.
• Evaluation of multiple protein docking structures using correctly predicted pairwise subunits
  Esquivel-Rodríguez, Juan ; Kihara, Daisuke
• Some Novel Oxirane-Thiirane Derivatives: Synthesis, Molecular docking and Enzymatic Inhibition for Therapeutic Potential
  Farzaliyev, Vagif ; Ertürk, Adem ; Huseynova, Afat ; Demir, Yeliz ; Kızıltaş, Hatice ; Sujayev, Afsun ; İsakov, Mir Ali ; Ibrahimova, Beyim ; Gülçin, İlhami
• Application of bioinformatics analysis and molecular docking to study the mechanism of Qingying decoction in treating psoriasis
  Shen, Cuicui ; Liu, Xuewei ; Jia, Huangchao ; Wang, Wenhe ; Wang, Xiaomeng ; Wang, Haiyan ; Wang, Dan ; Li, Jianwei
• Synthesis of thiazoloquinolinone derivatives: molecular docking, MD simulation, and pharmacological evaluation as VEGFR-2 inhibitors
  Amiri, Zeinab ; Bayat, Mohammad ; Gheidari, Davood
• Synthesis, Docking Study, and Structural Characterization of New Bioactive Thiazolidine-4-one Derivatives as Antibacterial and Antioxidant Agents
  Kadhim, Zainab Y. ; Alqaraghuli, Hasanain Gomhor J.