„docking“

Suchergebnisse

7.903 Treffer

• In silico characterization, structural modeling, and molecular docking of GabP in citrus and its potential role in GABA uptake
  Nehela, Yasser ; Killiny, Nabil
• Aspartame and ischemic stroke: unraveling the molecular link through network toxicology and molecular docking analysis
  Zhang, Tianyu ; Wang, Tao ; Yu, Kuangyang ; huang, Changren ; Bao, Kunyang
• Synthesis, characterization, molecular docking studies, and theoretical calculations of novel Ni (II), Cu (II), and Zn (II) complexes based on benzothiazole derivative
  Abd El-Nasser, Mohamed G. ; Ismail, Toka I.
• Benzo (d)(1,2) thiazepin-5-one 3-Oxides: An Unexplored Scaffold with Anticancer Activity
  Milokhov, Demyd S. ; Pomalin, Mykhailo S. ; Lutsiuk, Tetiana M. ; Hys, Vasyl Y. ; Virych, Pavlo A. ; Poliudov, Anton O. ; Popova, Maria V. ; Shishkina, Svitlana V. ; Volovenko, Yulian M. ; Dobrydnev, Alexey V.
• Multidirectional in silico and in vitro Research for the Pharmaceutical Potential of Fibigia Clypeata (L.) Medik: Phytochemical, Antimicrobial, and Antimyeloma Properties
  Unver, Tuba ; Uzuner, Ugur ; Akcora‐Yildiz, Dilara ; Gurhan, Ismet ; Arkan, Caglar ; Ozdemir, Zeynep
• Molecular Docking and Target‐Specific Binding Profiles of Benzosuberane‐Based Compounds
  Saragatsis, Michail A. ; Kinsella, Gemma K. ; Curtin, James F. ; Zhang, Tao
• Essential oil composition, in vitro antidiabetic, cytotoxicity, antimicrobial, antioxidant activity, and in silico molecular modeling analysis of secondary metabolites from Justicia schimperiana
  Tegegn, Getachew ; Melaku, Yadessa ; Aliye, Muhdin ; Abebe, Abiy ; Degu, Sileshi ; Eswaramoorthy, Rajalakshmanan ; Hunsen, Mo ; Endale, Milkyas
• Insight into in vitro thymidine phosphorylase and in silico molecular docking studies: identification of hybrid thiazole bearing Schiff base derivatives
  Mumtaz, Sundas ; Rahim, Fazal ; Hussain, Rafaqat ; Khan, Shoaib ; Abid, Obaid Ur Rahman ; Sardar, Asma ; Iqbal, Tayyiaba ; Islam, Mohammad Shahidul ; Almutairi, Tahani Mazyad
• Subtractive proteomics and molecular docking identify therapeutic targets and drug candidates in drug resistant Klebsiella Michiganensis THO-011
  Alanzi, Abdullah R. ; Alanazi, Ahmad Z. ; Alhazzani, Khalid ; Abbas, Munawar
• 3d-Transition Metal Complexes of a Tridentate Ligand: Synthesis, Characterization, Physico-Chemical Studies, Antimicrobial Activity, In Silico Molecular Docking and ADME Studies
  Manisha ; Ahmedi, Saiema ; Tiwari, Brahm ; Manzoor, Nikhat ; Kumar, Amit ; Jain, Pallavi
• Synergistic performance of silver/polyacrylic acid doped ZrO2 nanostructures for dye degradation and bactericidal behavior with molecular docking analysis
  Ikram, Muhammad ; Butt, Alvina Rafiq ; Bano, Sidra ; Naz, Sadia ; Moeen, Sawaira ; Ul-Hamid, Anwar ; Haider, Ali ; Ayari-Akkari, Amel
• Quadratic unconstrained binary optimization and constraint programming approaches for lattice-based cyclic peptide docking
  Brubaker, J. Kyle ; Booth, Kyle E. C. ; Arakawa, Akihiko ; Furrer, Fabian ; Ghosh, Jayeeta ; Sato, Tsutomu ; Katzgraber, Helmut G.
• Synthesis, molecular docking, molecular dynamic simulation and biological evaluation of novel 3,4-dihydropyridine derivatives as potent antituberculosis agents
  Khandelwal, Riya ; Vasava, Mahesh ; Kevlani, Vijay ; Parmar, Chintan ; Prajapati, Apurva ; Patel, Hitesh ; Patel, Paresh
• Investigation of antibiosis, anti-diabetic, antioxidant, anti-inflammatory, molecular docking and dye degradation potential of green synthesized copper ferrite (CuFe2O4) nanoparticles using mushroom Pleurotus florida
  Cherian, Beena ; Cherian, Tijo ; Merlin, Teena ; Jose, Shilpa
• Design, Synthesis, Antimicrobial Evaluation, Molecular Docking, and Computational Studies of New 1,2,4-Triazolo[4,3-a]pyrimidin-5(1 H)-one Derivatives
  El-Etrawy, Abd-Allah S. ; Ryad, Noha ; Fouda, Amr ; Sherbiny, Farag F. ; Abdel-Rahman, Adel. A. H. ; Sakr, Mahmoud A. S.
• Investigating the potential of novel antioxidant flavonoids: a comprehensive study of drug-likeness, molecular docking, pharmacokinetics, and DFT analysis
  Roba, Bashir Bello ; Umar, Abdullahi Bello
• Identification of natural product inhibitors as potential drug candidates for treating Alzheimer's disease: molecular docking, molecular dynamics simulations, MM/GBSA and pharmacokinetics
  Boufissiou, Ahmed ; Abdalla, Mohnad ; Kadi, Imededdine ; Soumaya, Hachani ; Eltayb, Wafa Ali ; Awadalla, Maaweya E. ; Algarni, Alanood Saeed ; Benarfa, Adel ; Bouchareb, Abderrezak ; Benaceur, Farouk ; Berrabah, Fathi
• Synthesis, Fluorescence Properties, in Vitro Anticancer Activity, inter-intramolecular Hydrogen Bonding and Molecular Docking Studies on (E)-2-((2-nitrobenzylidene) amino)phenol
  Lisha, K. P. ; Elangovan, Natarajan ; Manoj, K. P. ; Abu Ali, Ola A. ; Mahmoud, Samy F.
• The role of Lewis acid catalysts in [4+2] cycloaddition of 3-alkyl-2-vinylindoles with β,γ-unsaturated α-ketoesters: absorption, distribution, metabolism, excretion, and toxicity study and molecular docking against SARS-CoV-2 and HIV-1
  El Idrissi, Khadija ; Zeroual, Abdellah ; Elgorban, Abdallah M. ; Bahkali, Ali H. ; Wang, Shifa ; Garmes, Hocine
• Isolation, structural characterization and molecular docking of β-sitosterol from Trewia polycarpa root bark: a potential source of bioactive compounds
  Islam, Md. Jahirul ; Hayatullah ; Rahman, Md. Ataur ; Jahan, Nusrat ; Mostafa, Md. Golam ; Akter, Bakul ; Uddin, Md. Ripaj