„docking“

Suchergebnisse

7.903 Treffer

• Voltammetric and Docking Investigation of the Binding Interaction between (E)-1-[(2-Phenoxyphenylimino)methyl]naphthalen-2-ol and Calf Thymus DNA
  Ender Biçer ; Billy, Temban Acha ; Macit, Mustafa
• Synthesis of novel sulfonamides with anti‐Alzheimer and antioxidant capacities
  Gök, Nihal ; Akıncıoğlu, Akın ; Erümit Binici, Edanur ; Akıncıoğlu, Hülya ; Kılınç, Namık ; Göksu, Süleyman
• In Silico Molecular Analysis and Docking of Potent Antimicrobial Peptides Against MurE Enzyme of Methicillin Resistant Staphylococcus Aureus
  Zouhir, Abdelmajid ; Jemli, Sonia ; Omrani, Rania ; kthiri, Amani ; Jridi, Taoufik ; sebei, Khaled
• Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations
  Ramakrishnan, Jaganathan ; Kandasamy, Saravanan ; Iruthayaraj, Ancy ; Magudeeswaran, Sivanandam ; Chinnasamy, Kalaiarasi ; Poomani, Kumaradhas
• Chemical Composition and Pharmacological Evaluation and of Toddalia asiatica (Rutaceae) Extracts and Essential Oil by in Vitro and in Silico Approaches.
  Lobine, Devina ; Pairyanen, Bryan ; Zengin, Gokhan ; Yılmaz, Mustafa Abdullah ; Ouelbani, Rayene ; Bensari, Souheir ; Ak, Gunes ; Abdallah, Hassan H. ; Imran, Muhammad ; Mahomoodally, Mohamad Fawzi
• Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction
  Zhang, Xiaoxiao ; Xu, Minjie ; Wu, Zengrui ; Liu, Guixia ; Tang, Yun ; Li, Weihua
• Epicatechin an incredible tool to dissociate MDM2-p53 interaction for treatment of glioblastomas: a molecular docking and molecular dynamics simulation approach
  Verma, Shalja ; Pandey, Anand Kumar
• Multitarget‐directed therapeutics: (Urea/thiourea) 2 derivatives of diverse heterocyclic‐Lys conjugates
  Pavan Kumar, H. ; Kumara, H. K. ; Suhas, R. ; Channe Gowda, D.
• Synthesis, Molecular Docking and Preliminary Antileukemic Activity of 4‐Methoxybenzyl Derivatives Bearing Imidazo[2,1‐ b ][1,3,4]thiadiazole
  Choodamani, B. ; Cano Hernandez, Karla G. ; Kumar, Sujeet ; Tony, Ann Maria ; Schiaffino Bustamante, Austre Y. ; Aguilera, Renato J. ; Schols, Dominique ; Gopi Mohan, C. ; Karki, Subhas S.
• Enhancement of the biochemical activity of some market antibiotics by chemical modification: Synthesis, characterization, and biochemical evaluation
  Abbas, Abbas M. ; Fisal, Sara R. ; Orabi, Adel S.
• Design, synthesis, in silico analysis with PPAR ‐γ receptor and study of non‐covalent interactions in unsymmetrical heterocyclic/phenyl fleximer
  Singh, Ved Prakash ; Dowarah, Jayanta ; Marak, Brilliant N. ; Tewari, Ashish Kumar
• In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking
  Cavasotto, Claudio N. ; Di Filippo, Juan I.
• A new linear cyclin docking motif that mediates exclusively S‐phase CDK‐specific signaling
  Faustova, Ilona ; Bulatovic, Luka ; Matiyevskaya, Frida ; Valk, Ervin ; Örd, Mihkel ; Loog, Mart
• Exploring the Potential Mechanism of Guchang Zhixie Wan for Treating Ulcerative Colitis by Comprehensive Network Pharmacological Approaches and Molecular Docking Validation as Well as Cell Experiments
  Zhang, Wei ; Chao, Xu ; Wu, Jie‐Qiong ; Ma, Xiao‐Bing ; Yang, Yin‐Li ; Wu, Yang ; Lin, Jun‐Chao
• Three anticancer Pt complexes with glycine derivatives: synthesis, bioactivity on MCF-7 cell line, ADME prediction, DFT, MEP, and molecular docking
  Eslami Moghadam, Mahboube ; Jafari, Ameneh ; Kiani Khashandaragh, Ramin ; Divsalar, Adeleh ; Ghasemzadeh, Mitra
• Artificial neural network‐based quantitative structure–activity relationships model and molecular docking for virtual screening of novel potent acetylcholinesterase inhibitors
  Zerroug, Enfale ; Belaidi, Salah ; Chtita, Samir
• Homology modeling and molecular docking simulation of some novel imidazo[1,2-a]pyridine-3-carboxamide (IPA) series as inhibitors of Mycobacterium tuberculosis
  Abdullahi, Mustapha ; Adeniji, Shola Elijah ; Arthur, David Ebuka ; Haruna, Abdurrashid
• Precursor-directed Biosynthesis in Tabernaemontana catharinensis as a New Avenue for Alzheimerʼs Disease-modifying Agents
  Musquiari, Bruno ; Crevelin, Eduardo J. ; Bertoni, Bianca W. ; França, Suzelei de C. ; Pereira, Ana Maria S. ; Castello, Ana Carolina Devides ; Castillo-Ordoñez, Willian O. ; Giuliatti, Silvana ; Lopes, Adriana A.
• Synthesis, Antimicrobial Activity, Anti‐HIV Activity, and Molecular Docking of Novel 5‐, 6‐ and 7‐Membered Ring (1 H ‐Pyrrol‐2‐yl)aminolactams
  Jassem, Ahmed Majeed ; Dhumad, Adil Muala
• Barriers to safety and efficiency in robotic surgery docking
  Cofran, Lucy ; Cohen, Tara ; Alfred, Myrtede ; Kanji, Falisha ; Choi, Eunice ; Savage, Stephen ; Anger, Jennifer ; Catchpole, Ken