„docking“

Suchergebnisse

7.903 Treffer

• Design and Synthesis of Some Novel Aromatic Amide Derivatives of Nilutamide as In Vitro Anticancer Agents
  Thirukovela, Narasimha Swamy ; Nukala, Satheesh Kumar ; Sirassu, Narsimha ; Manchal, Ravinder ; Gundepaka, Prasad ; Paidakula, Suresh
• Synthesis of Mefenamic Acid Containing N ‐Glycoconjugates and Their Evaluation as Human COX‐2 Enzyme Inhibitor
  Madduluri, Vimal K. ; Sah, Ajay K.
• Quinoline Glycoconjugates as Potentially Anticancer and Anti‐Inflammatory Agents: An Investigation Involving Synthesis, Biological Screening, and Docking
  Pallavi, Badvel ; Sharma, Prachi ; Baig, Noorullah ; Kumar Madduluri, Vimal ; Sah, Ajay K. ; Saumya, Udit ; Dubey, Uma S. ; Shukla, Paritosh
• Synthesis, Antimicrobial Activity, Molecular Docking and DFT Study: Aryl‐Carbamic Acid 1‐Benzyl‐1 H ‐(1,2,3) Triazol‐4‐ylmethyl Esters
  Naveen ; Kumar Tittal, Ram ; Vikas, Ghule D. ; Rani, Poonam ; Lal, Kashmiri ; Kumar, Ashwani
• Artificial Splitting of a Non‐Ribosomal Peptide Synthetase by Inserting Natural Docking Domains
  Kegler, Carsten ; Bode, Helge Björn
• Design, Synthesis and Antitumoral Activity of New O ‐Alkylamidoximes
  Oliveira, Romário Jonas ; Santos, Cosme Silva ; Caiana, Rodrigo Ribeiro Alves ; Farias, Kleber Juvenal Silva ; de Almeida Júnior, Renato Ferreira ; Machado, Paula Renata Lima ; Soares‐Paulino, Antônio Augusto ; Menezes, Paulo Henrique ; Freitas, Juliano Carlo Rufino
• In‐vitro Anticancer and Molecular Docking Studies of 4‐Azaindole‐1,2,4‐Oxadiazole Hybrids
  Sagam, Ravikumar Reddy ; Nukala, Satheesh Kumar ; Nagavath, Rajkumar ; Sirassu, Narsimha ; Gundepaka, Prasad ; Manchal, Ravinder ; Thirukovela, Narasimha Swamy
• 1,2,3,4‐Tetrahydroisoquinoline Derivatives as a Novel Deoxyribonuclease I Inhibitors
  Gajić, Mihajlo ; Ilić, Budimir S. ; Bondzic, Bojan ; Džambaski, Zdravko ; Kojić, Vesna V. ; Jakimov, Dimitar S. ; Kocić, Gordana ; Šmelcerović, Andrija
• In Vitro and In Silico Anti‐plasmodial Evaluation of Newly Synthesized β‐Carboline Derivatives
  Kumar, Vipin ; Sachdeva, Cheryl ; Waidha, Kamran ; Sharma, Sunil ; Ray, Devalina ; Kumar Kaushik, Naveen ; Saha, Biswajit
• Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns
  Kalliokoski, Tuomo
• An Atypical Arginine Dihydrolase Involved in the Biosynthesis of Cyclic Hexapeptide Longicatenamides
  Liu, Chao ; Hashimoto, Junko ; Kudo, Kei ; Shin‐ya, Kazuo ; Kakeya, Hideaki
• Synthesis, anti‐inflammatory activity, and molecular docking study of novel azo bis antipyrine derivatives against cyclooxygenase‐2 enzyme
  Bhuvaneswari, Kaliyan ; Nagasundaram, Nagarajan ; Lalitha, Appaswami
• Do Docking Sites Persist Upon Fluorination? The Diadamantyl Ether‐Aromatics Challenge for Rotational Spectroscopy and Theory
  Quesada‐Moreno, María Mar ; Pinacho, Pablo ; Pérez, Cristóbal ; Šekutor, Marina ; Schreiner, Peter R. ; Schnell, Melanie
• Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1‐(Pyrrolidin‐2‐yl)propan‐2‐one Derivatives
  Ilić, Budimir S. ; Gajić, Mihajlo ; Bondzic, Bojan ; Džambaski, Zdravko ; Kocić, Gordana ; Šmelcerović, Andrija
• Docking of Cu I and Ag I in Metal–Organic Frameworks for Adsorption and Separation of Xenon
  Wang, Haoze ; Shi, Zhaolin ; Yang, Jingjing ; Sun, Tu ; Rungtaweevoranit, Bunyarat ; Lyu, Hao ; Zhang, Yue‐Biao ; Yaghi, Omar M.
• Docking of Cu I and Ag I in Metal–Organic Frameworks for Adsorption and Separation of Xenon
  Wang, Haoze ; Shi, Zhaolin ; Yang, Jingjing ; Sun, Tu ; Rungtaweevoranit, Bunyarat ; Lyu, Hao ; Zhang, Yue‐Biao ; Yaghi, Omar M.
• Molecular docking to understand the metabolic behavior of GNF-351 by CYP3A4 and its potential drug–drug interaction with ketoconazole
  Liu, Tao ; Qian, Ge ; Wang, WenTing ; Zhang, YanGuo
• Molecular Docking of Bacosides with Tryptophan Hydroxylase: A Model to Understand the Bacosides Mechanism
  Rajathei, David Mary ; Preethi, Jayakumar ; Singh, Hemant K. ; Rajan, Koilmani Emmanuvel
• Exploring the Therapeutic Landscape: A Detailed Computational Analysis Molecular Docking, Dynamics, MM-GBSA, and ADMET of Heterocyclic Compounds from Annona Squamosa Linn Targeting Hypolipidemia
  Singh, Ravi Pratap
• Anti-diabetic activity of bioactive compounds extract from Ixora brachiata leaf: In-vitro and molecular docking, dynamics simulation approaches
  Sivasakthi, Vairakkannu