„docking“

Suchergebnisse

7.903 Treffer

• Integrated production and protein–protein docking analysis of L-methionase from Klebsiella oxytoca for enzyme-based anticancer therapy via methionine starvation and epigenetic modulation
  Sharma, Bhupender ; Chauhan, Vivek ; Dhiman, Vivek Kumar ; Kumar, Rakesh ; Mahajan, Gaytri ; Singh, Sukhdev ; Sashi, Kanta ; Kashwal, Anjali ; Kanwar, Shamsher S.
• Therapeutic potential of Moringa oleifera phytochemicals as modulators of cathepsin B for Alzheimer’s disease management: insights from molecular docking and dynamics simulations
  Ezeorba, Timothy Prince Chidike ; Chukwuma, Ifeoma Felicia ; Obieshi, Augusta Chidera ; Eje, Ozoemena Emmanuel ; Nelson, Treasure Nneka ; Agare, Goodnews Ikuesiri ; Al-Hoshani, Nawal ; Alahmady, Nada F. ; Abdalla, Mohnad
• Structure-based evaluation of Annona muricata bioactives for anticancer drug discovery: quantum chemical, molecular docking, and ADMET studies
  Samuel, H. S. ; Dennis, J. ; Alahira, D. ; Bako, B. ; Abakpa, A. M. ; Etim, E. E. ; Shinggu, J. P.
• New 5-iodoisatin-thiosemicarbazones: preparation, spectroscopic characterization, antioxidant, urease inhibition activities, DFT studies, molecular docking, and molecular dynamic simulations
  Yakan, Hasan ; Muğlu, Halit ; Bakır, Temel Kan ; Yenigün, Semiha ; Misbah, Amhimmid Ghayth Amhimmid ; Çavuş, Muhammet Serdar ; Özen, Tevfik
• A New 1,2,3-Triazole-Based Benzooxepines: Design, Synthesis, and In Silico Docking, ADME-T and Antimicrobial Evaluation
  Kuna, Sateesh ; Patlola, Madhusudhan ; Bhoomandla, Srinu ; Pandiri, Sreedhar ; Akarapu, Premalatha ; Allaka, Tejeswara Rao
• Investigation of Some Substituted-Piperidine-3-carboxamide Derivative Compounds As Active Ingredients in the Treatment of Crohn’s Disease by Molecular Docking Method
  İslamoğlu, Fatih
• Design and Synthesis of Novel Imidazopyridine-Chalcone Hybrids As Potent Anti-TB Agents with Their Docking and Cytotoxicity Studies
  Patil, Rajakumar ; Reddy, Dinesh S. ; G, Vidya ; Shanavaz, Hamzad ; Gaddam, Sashivinay Kumar ; Kadam, Nikhil ; Kasai, Deepak
• Theoretical Studies of Copper(II) Hydroxamates: Structural, HOMO–LUMO, NBO Analysis and Docking Study Against SARS-CoV-2
  Chauhan, Parul ; Sharma, Deepika ; Choudhary, Vineet Kumar
• Novel inducible nitric oxide synthase-inhibiting cytochalasins from an oyster-derived fungus Westerdykella dispersa Ca4-13: structural insights and molecular docking analysis
  Huang, Shu-Jung ; Hsu, Su-Jung ; Wang, Shih-Wei ; Liu, Yi-Chien ; Jiang, Cheng-Yan ; Hsiao, George ; Lee, Tzong-Huei
• Molecular docking, molecular dynamic simulation, and ADME analysis of Moringa oleifera phytochemicals targeting NS5 protein: towards the development of novel anti-dengue therapeutics
  Yadav, Ashish Kumar ; Masarkar, Neha ; Pal, Maynak ; Mukherjee, Sukhes ; Kumar, Ashok ; Verma, Sarika ; Chowdhary, Rashmi
• Network pharmacology based investigation of the multi target mechanisms of Murraya koenigii (curry leaves) in non-alcoholic steatohepatitis (NASH)
  Kashyap, Harsh ; Kumari, Jyoti ; Khatri, Manisha
• Advances in Bioinformatics and Computational Biology – 6th Brazilian Symposium on Bioinformatics, BSB 2011, Brasilia, Brazil, August 10-12, 2011. Proceedings
  Souza, Osmar Norberto ˜deœ ; Telles, Guilherme P. ; Palakal, Mathew J. 2011 Springer Berlin Heidelberg
• Determination of bioactive and anti-inflammatory molecules of Thymbra spicata L. from Mardin by GC–MS and LC–Orbitrap HRMS: a DFT, molecular docking, ADMET, biological target and activity study
  Unsal, Velid ; Ercan, Leyla ; Calıskan, Cemile Gunbegi
• Structural, nonlinear optical, and molecular docking studies of schiff base compounds as multi-target inhibitors of AChE, BChE, and carbonic anhydrases
  Kourat, Oumria ; Benhalima, Nadia ; Al-Dies, Al-Anood M. ; Guendouzi, Abdelkrim ; Benyahlou, Zohra Douaa ; Megrouss, Youcef ; Drissi, Mokhtaria ; Alem, Gizachew Alene ; Sindi, Emad Rashad ; Zaki, Magdi E. A.
• Novel anticancer effect of substituted imidazole derivatives against urothelial carcinoma: integrating In vitro screening and molecular docking for target kinases
  Aboulhoda, Basma Emad ; Omar, Abdelsattar M. ; Elfarrash, Sara ; Alghamdi, Mansour Abdullah ; Emam, Ahmed A. ; El-Gamal, Randa ; Abo-Elhoda, Soad E. ; Zayed, Mohamed F.
• Correction: In silico drug evaluation by molecular docking, ADME studies and synthesis, characterization, biological activities, DFT, SAR analysis of the novel Mannich bases
  Tahiroğlu, Veysel ; Gören, Kenan ; Kotan, Gül ; Yüksek, Haydar
• Erratum to: Furanyl-Chalcones as antimalarial agent: synthesis, in vitro study, DFT, and docking analysis of PfDHFR inhibition
  Wulan, Fia Fathiana ; Pranaya, Rachelio Clorozenta ; Jecky ; Nadira, Intan ; Astuti, Endang ; Prasetyo, Niko ; Wahyuningsih, Tutik Dwi
• Retraction Note: Network pharmacology and molecular docking of cyclomastopathy Chinese medicine formula
  Sun, Boyu ; Huang, Kejiang ; Pang, Qingbao ; Yang, Yue ; Zhao, Wendi ; Yao, Chunli ; Ming, Jing
• Correction: Tectoridin modulates intertwined molecular pathways in metabolic syndrome: insights from network pharmacology, molecular docking, and in vivo studies
  Mishra, Ashwini Kumar ; Sahoo, Pravat Kumar ; Singh, Rajesh ; Jain, Smita
• Synthesis and Anticancer Activity Study of New Bis‐1,3‐Oxazole‐5‐Sulfonylamides
  Kachaeva, Maryna ; Pilyo, Stepan ; Hodyna, Diana ; Shulha, Yurii ; Brovarets, Volodymyr