Search Result "AutoDock 4.2"


Research Article

In-silico Designing of Novel Camptothecin Analogues as Potent Inhibitors of Topoisomerase I: A Molecular Docking, QSAR, and ADME-T Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 859-868
Author(s): Darpan Raghav, Babukrishna Maniyadath, Aruna Mohan, Sutari Sairam, Rinu Mary Rajan, Krishnan Rathinasamy

Research Article

Docking, Molecular Dynamics Simulation and Synthesis of New Fenobam Analogues as mGlu5 Receptor Antagonists

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 764-770
Author(s): Abdollah Javidan,Mohammad Javad Taghizadeh,Seyed Ayoub Hosseini,Maryam Iman,Rahim Jafari

Research Article

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 4 Year: 2016 Page: 302-313
Author(s): Anand Balupuri, Pavithra K. Balasubramanian, Seung J. Cho

Biological Evaluation of Azomethine-dihydroquinazolinone Conjugates as Cancer and Cholinesterase Inhibitors

Journal: Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2016 Page: 74-82
Author(s): Jamshed Iqbal,Aamer Saeed,Syed J.A. Shah,Mariya al-Rashida,Shams-ul Mahmood

Shining Light on an mGlu5 Photoswitchable NAM: A Theoretical Perspective

Journal: Current Neuropharmacology
Volume: 14 Issue: 5 Year: 2016 Page: 441-454
Author(s): James A.R. Dalton,Isaias Lans,Xavier Rovira,Fanny Malhaire,Xavier Gómez-Santacana,Silvia Pittolo,Pau Gorostiza,Amadeu Llebaria,Cyril Goudet,Jean-Philippe Pin,Jesús Giraldo

Protein Structural Analysis of Calbindin D28k Function and Dysregulation: Potential Competition Between Ca2+ and Zn2+

Journal: Current Alzheimer Research
Volume: 13 Issue: 7 Year: 2016 Page: 777-786
Author(s): Sara Ibrahim Omar,Benedict C. Albensi,Kathleen M. Gough

Interactions of Non-Phosphorous Glycerolipids with DNA: Energetics, Molecular Docking and Topoisomerase I Attenuation

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2016 Page: 335-346
Author(s): Valery Y. Grinberg,Vladimir B. Tsvetkov,Alina A. Markova,Lyubov G. Dezhenkova,Tatiana V. Burova,Natalia V. Grinberg,Alexander S. Dubovik,Natalia V. Plyavnik,Alexander A. Shtil

Research Article

Study of Some Piperine Analogues on Drugs Efflux by Targeting P-glycoprotein, an in silico Approach

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 952-961
Author(s): Anushree Tripathi, Krishna Misra, Rajesh Kumar Kesharwani

Rhodomyrtone Target Exploration: Computer Aided Search on Staphylococcus aureus Key Proteins as a Potential Therapeutic Target

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 119-134
Author(s): Dennapa Saeloh,Varomyalin Tipmanee,Supayang P. Voravuthikunchai

Review Article

Molecular Docking for Identification of Potential Targets for Drug Repurposing

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2016 Page: 3636-3645
Author(s): Heng Luo, William Mattes, Donna L Mendrick, Huixiao Hong

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