„docking“

Suchergebnisse

7.903 Treffer

• Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations
  Abbas, Munawar ; Alanzi, Abdullah R. ; Sahibzada, Kashif Iqbal ; Nawaz, Mariyam ; Fatima, Ghulam ; Wei, Dong-Qing
• M01 tool: an automated, comprehensive computational tool for generating small molecule-peptide hybrids and docking them into curated protein structures
  Sheikholeslami, Mahsa ; Nazari, Mohammad Hasan ; Fassihi, Afshin
• Synthesis, Spectroscopic, DFT Calculation and Molecular Docking Studies of Indole Derivative
  Devar, Sulochana ; More, Srinath ; Patil, Omnath ; S M, Basavarajaiah ; G Y, Nagesh ; Hanagodimath, S. M.
• Medicinal chemistry insights of molecular docking and cell permeability mechanism of phytoconstituents present in Mimosa pudica as NS2B-NS3 protease inhibitors against dengue virus
  Kurmi, Santosh Prasad Chaudhary ; Thapa, Shankar ; Mahmood, Ammar A. Razzak ; Murav, Ashok Kumar ; Biradar, Mahalakshmi Suresha ; Bhagyanath, Nina ; Maurya, Sharvendra Nath
• Exploring the molecular mechanism of Tripterygium Wilfordii Hook F in treating systemic lupus erythematosus via network pharmacology and molecular docking
  Hong, Yanggang ; Wang, Deqi ; Qian, Hengrong ; Jiang, Xiaoyang ; Wang, Yi ; Liang, Xinyue ; Gao, Sheng ; Hua, Chunyan
• Molecular docking and dynamics simulations of bioactive terpenes from Catharanthus roseus essential oil targeting breast cancer
  Nayila, Iffat ; Sharif, Sumaira ; Ullah, Riaz ; Alotaibi, Amal ; Shah, Syed Ali Raza ; Bibi, Maira ; Hameed, Saima ; Iqbal, Aasma
• Valorization of Juglans regia L. (Walnut) green husk from Jordan: Analysis of fatty acids, phenolics, antioxidant, and cytotoxic activities
  Abutaha, Nael ; AL-Mekhlafi, Fahd A.
• Antidiabetic and Antioxidant Activities of Indian Bay Leaf (Cinnamomum tamala (Buch.‐Ham.) T. Nees & Eberm.) Essential Oils Collected from Meghalaya
  Kumar Chaudhary, Sushil ; Kharlyngdoh, Evanylla ; Shukla, Jitendra K. ; Bhardwaj, Pardeep K. ; Thorat, Sunil S. ; Bhowmick, Shovonlal ; Sharma, Nanaocha ; Mukherjee, Pulok K.
• Synthesis, Kinetics, and Molecular Docking of Novel 9‐(2‐Hydroxypropyl) purine Nucleoside Analogs as Ligands of Herpesviral Thymidine Kinases
  Pospisil, Pavel ; Pilger, Beatrice D. ; Marveggio, Stefania ; Schelling, Pierre ; Wurth, Christine ; Scapozza, Leonardo ; Folkers, Gerd ; Pongracic, Mario ; Mintas, Mladen ; Malic, Silvana Raic
• N ‐([1,1ʹ‐biaryl]‐4‐yl)‐1‐naphthamide‐based scaffolds synthesis, their cheminformatics analyses, and screening as bacterial biofilm inhibitor
  Ejaz, Saba ; Zubair, Muhammad ; Rasool, Nasir ; Ahmed, Faiz ; Bilal, Muhammad ; Ahmad, Gulraiz ; Altaf, Ataf A. ; Shah, Syed A. A. ; Rizwan, Komal
• Eriocitrin and Apigenin as New Carbonic Anhydrase VA Inhibitors from a Virtual Screening of Calabrian Natural Products
  Gidaro, Maria Concetta ; Alcaro, Francesca ; Carradori, Simone ; Costa, Giosuè ; Vullo, Daniela ; Supuran, Claudiu T. ; Alcaro, Stefano
• Apixaban Interacts with Haemoglobin: Effects on Its Plasma Levels
  Sacco, Monica ; Lancellotti, Stefano ; Berruti, Federico ; Arcovito, Alessandro ; Bellelli, Andrea ; Ricciardelli, Tiziana ; Autiero, Ida ; Cavallo, Luigi ; Oliva, Romina ; De Cristofaro, Raimondo
• Synthesis, Docking, and Dynamic Studies of New Pyrano‐(3,2 ‐e)‐Pyrazole Fused 1,2,4‐Triazolo‐(4,3 ‐c)‐pyrimidine Analogues as Anticancer Agents
  Kumar, Navara Santhosh ; Kumar, Ganta Ravi ; Padhy, Harihara ; Karunakar, Prashantha ; Kerru, Nagaraju ; Jonnalagadda, S. B. ; Maddila, Suresh
• Integrating Structure‐ and Ligand‐Based Virtual Screening: Comparison of Individual, Parallel, and Fused Molecular Docking and Similarity Search Calculations on Multiple Targets
  Tan, Lu ; Geppert, Hanna ; Sisay, Mihiret T. ; Gütschow, Michael ; Bajorath, Jürgen
• Syntheses, Receptor Bindings, in vitro and in vivo Stabilities and Biodistributions of DOTA‐Neurotensin (8–13) Derivatives Containing β ‐Amino Acid Residues – A Lesson about the Importance of Animal Experiments
  Sparr, Christof ; Purkayastha, Nirupam ; Yoshinari, Tomohiro ; Seebach, Dieter ; Maschauer, Simone ; Prante, Olaf ; Hübner, Harald ; Gmeiner, Peter ; Kolesinska, Beata ; Cescato, Renzo ; Waser, Beatrice ; Reubi, Jean Claude
• A Multi‐step Virtual Screening Protocol for the Identification of Novel Non‐acidic Microsomal Prostaglandin E 2 Synthase‐1 (mPGES‐1) Inhibitors
  Shekfeh, Suhaib ; Çalışkan, Burcu ; Fischer, Katrin ; Yalçın, Tansu ; Garscha, Ulrike ; Werz, Oliver ; Banoglu, Erden
• Isolation and Molecular Docking of Cytotoxic Secondary Metabolites from Two Red Sea Sponges of the Genus Diacarnus
  Al‐Tarabeen, Mousa ; El‐Neketi, Mona ; Albohy, Amgad ; Müller, Werner Ernst Georg ; Rasheed, Mohammed ; Ebrahim, Weaam ; Proksch, Peter ; Ebada, Sherif Saeed
• A diverse benchmark based on 3D matched molecular pairs for validating scoring functions
  Kalinowsky, Lena ; Weber, Julia ; Balasupramaniam, Shantheya ; Baumann, Knut ; Proschak, Ewgenij 2018 Universitätsbibliothek Johann Christian Senckenberg
• Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015
  Slynko, Inna ; Silva, Franck Da ; Bret, Guillaume ; Rognan, Didier
• Docking and Pharmacophore Methods in Drug Discovery
  Cao, Yaquan