Search Result "Covalent docking"


Research Article

Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 752-763
Author(s): Sanal Dev,Sunil R. Dhaneshwar,Bijo Mathew

Research Article

Enhancing Scoring Performance of Docking-Based Virtual Screening Through Machine Learning

Journal: Current Bioinformatics
Volume: 11 Issue: 4 Year: 2016 Page: 408-420
Author(s): Cândida G. Silva,Carlos J.V. Simoes,Pedro Carreiras,Rui M.M. Brito

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

Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

Journal: Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2016 Page: 553-562
Author(s): Krzysztof Z. Laczkowski, Anna Biernasiuk, Angelika Baranowska-Laczkowska, Konrad Misiura, Anna Malm, Tomasz Plech, Agata Paneth

Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2016 Page: 75-80
Author(s): Bijo Mathew,Jerad Suresh,Sockalingam Anbazhagan,Sanal Dev

Research Article

Imidazole-based Derivatives as Potential Anti-platelet Inhibitors: DFT and Molecular Docking Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 888-896
Author(s): Mehbub I. K. Momin, Neil A. Koorbanally, Bahareh Honarparvar

Pharmacophore Modeling, 3D-QSAR and Molecular Docking of Furanochalcones as Inhibitors of Monoamine Oxidase-B

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2016 Page: 105-111
Author(s): Bijo Mathew,Sanal Dev,Jerad Suresh,Githa E. Mathew,Baskar Lakshmanan,Abitha Haridas,Fajeelath Fathima,Girish K. Krishnan

Research Article

Virtual Screening on Analogs of 2 Methyl Heptyl Isonicotinate as GlmU Inhibitors of Mycobacterium tuberculosis

Journal: Current Enzyme Inhibition
Volume: 12 Issue: 2 Year: 2016 Page: 123-133
Author(s): Salam P. Singh, Chitta R. Deb, Sharif Uddin Ahmed, Yenisetti Saratchandra, Bolin K. Konwar

Research Article

Spectroscopy and Molecular Modeling Study on Binding of Nickel Phthalocyanine to Human Serum Albumin

Journal: Protein & Peptide Letters
Volume: 23 Issue: 9 Year: 2016 Page: 800-807
Author(s): Hamid Dezhampanah,Roghaye Firouzi,Leila Hasani

QSAR and Molecular Modeling Studies on a Series of Indole-based Pyridone Analogues as HCV NS5B Polymerase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 8 Year: 2016 Page: 757-770
Author(s): Neelu Singh, Basheerulla Shaik, Neeraj Agrawal, Anita K, Vijay K. Agrawal, Satya P. Gupta

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