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In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 399-410
Author(s): Mbatha Sbongile, Mahmoud E.S. Soliman

Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Journal: Current Pharmaceutical Biotechnology
Volume: 16 Issue: 1 Year: 2015 Page: 11-25
Author(s): Tao Wang,Mian-Bin Wu,Zheng-Jie Chen,Hua Chen,Jian-Ping Lin,Li-Rong Yang

Discovery of GPCR Ligands by Molecular Docking Screening: Novel Opportunities Provided by Crystal Structures

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 24 Year: 2015 Page: 2484-2503
Author(s): David RodrÃguez,Anirudh Ranganathan,Jens Carlsson

Development of Fluorinated Thienylchalcones as Monoamine Oxidase-B Inhibitors: Design, Synthesis, Biological Evaluation and Molecular Docking Studies

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 9 Year: 2015 Page: 605-613
Author(s): Bijo Mathew,Gulberk Ucar,Samiye Yabanogclu-Ciftci,Ipek Baysal,Jerad Suresh,Githa Elizabeth Mathew,Jobin Kunjumon Vilapurathu,A. M. Nadeena,P. Nabeela,V. Lakshmi,Abitha Haridas,Fajeelath Fathima

Structural Characterization of Alpha-methylacyl-CoA Racemase: Comparative Structural Modeling, Molecular Docking and Dynamic Simulations Studies

Journal: Current Cancer Drug Targets
Volume: 15 Issue: 9 Year: 2015 Page: 822-835
Author(s): Sumra Wajid Abbasi,Syed Sikander Azam

Insight into the Binding Mode between N-Methyl Pyrimidones and Prototype Foamy Virus Integrase-DNA Complex by QM-Polarized Ligand Docking and Molecular Dynamics Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2015 Page: 43-49
Author(s): Karnati Konda Reddy,Sanjeev Kumar Singh

Multi-Kinase Inhibitors

Journal: Current Medicinal Chemistry
Volume: 22 Issue: 6 Year: 2015 Page: 695-712
Author(s): Laura Garuti,Marinella Roberti,Giovanni Bottegoni

Dendrimers as an Effective Nanocarrier in Cardiovascular Disease

Journal: Current Pharmaceutical Design
Volume: 21 Issue: 30 Year: 2015 Page: 4519-4526
Author(s): Avinash Gothwal,Prashant Kesharwani,Umesh Gupta,Iliyas Khan,Mohd Cairul Iqbal Mohd Amin,Sanjeev Banerjee,Arun K. Iyer

Computer-aided Identification of Novel DprE1 Inhibitors as Potential Anti-TB Lead Compounds: A Hybrid Virtual-screening and Molecular Dynamics Approach

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 4 Year: 2015 Page: 302-313
Author(s): Yushir Maharaj,Soumendranath Bhakat,Mahmoud E. S. Soliman

Synthesis and Biological Evaluation of Pyrazolo[3,4-b]pyridin-4-ones as a New Class of Topoisomerase II Inhibitors

Journal: Medicinal Chemistry
Volume: 11 Issue: 4 Year: 2015 Page: 342-353
Author(s): Mojgan Aghazadeh Tabrizi,Pier Giovanni Baraldi,Stefania Baraldi,Filippo Prencipe,Delia Preti,Giulia Saponaro,Romeo Romagnoli,Stefania Gessi,Stefania Merighi,Angela Stefanelli,Debora Fazzi,Pier Andrea Borea,Rodolfo Couto Maia,Nelilma C. Romeiro,Carlos A. M. Fraga,Eliezer J. Barreiro

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