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New Bisquaternary Isoquinolinium Inhibitors of Brain Cholinesterases - Synthesis and Anticholinesterase Activity

Authors: Binder, Jiri; Paar, Martin; Jun, Daniel; Pohanka, Miroslav; Hrabinova, Martina; Opletalova, Veronika; Kuca, Kamil

Source: Letters in Drug Design & Discovery, Volume 7, Number 1, January 2010 , pp. 1-4(4)

Publisher: Bentham Science Publishers

Modifications of ampicillin structure and its implication: an in-silico approach

Authors: Poddar, Raju; Mathur, Aprajita; Kawalekar, Omkar Uday; Rai, Amit; Bhatnagar, Amogh

Source: International Journal of Bioinformatics Research and Applications, Volume 5, Number 6, 29 October 2009 , pp. 616-624(9)

Publisher: Inderscience Publishers

Metabolism of captopril carboxyl ester derivatives for percutaneous absorption

Authors: Gullick, Darren R.; Ingram, Matthew J.; John Pugh, W.; Cox, Paul A.; Gard, Paul; Smart, John D.; Moss, Gary P.

Source: Journal of Pharmacy and Pharmacology, Volume 61, Number 2, February 2009 , pp. 159-165(7)

Publisher: Pharmaceutical Press

DNA Binders: 2. Molecular Recognition of DNA by 2,3,6,7-tetrahydro-1Hpyrrolo[1,2-a]indole-1,8(5H)-dione bis(4,5-dihydro-1H-imidazol-2-ylhydrazone) as a Prototype of “Two-Armed” Intercalating Agents

Authors: Dallocchio, Roberto; Dessi, Alessandro; Sanna, Vanna; Pala, Nicolino; Campesi, Ilaria; Paglietti, Giuseppe; Sechi, Mario

Source: Letters in Drug Design & Discovery, Volume 6, Number 4, June 2009 , pp. 246-251(6)

Publisher: Bentham Science Publishers

Molecular Mechanics Force Fields and their Applications in Drug Design

Authors: Pissurlenkar, Raghuvir R.S.; Shaikh, Mushtaque S.; Iyer, Radhakrishnan P.; Coutinho, Evans C.

Source: Anti-Infective Agents in Medicinal Chemistry (Formerly Current Medicinal Chemistry - Anti-Infective Agents), Volume 8, Number 2, April 2009 , pp. 128-150(23)

Publisher: Bentham Science Publishers

Allosteric Modulation of SULT2A1 by Celecoxib and Nimesulide: Computational Analyses

Authors: Yalcin, Emine B.; Struzik, Scott M.; King, Roberta S.

Source: Drug Metabolism Letters, Volume 2, Number 3, August 2008 , pp. 198-204(7)

Publisher: Bentham Science Publishers

Comparison of docking methods for carbohydrate binding in calcium-dependent lectins and prediction of the carbohydrate binding mode to sea cucumber lectin CEL-III

Authors: Nurisso, A.; Kozmon, S.; Imberty, A.

Source: Molecular Simulation, Volume 34, Number 4, April 2008 , pp. 469-479(11)

Publisher: Taylor and Francis Ltd

Design and Synthesis of Imidazole and Benzimidazole Derivatives as Antifungal Agents

Authors: Khabnadideh, S.; Rezaei, Z.; Khalafi-Nezhad, A.; Pakshir, K.; Roosta, A.; Baratzadeh, Z.

Source: Anti-Infective Agents in Medicinal Chemistry (Formerly Current Medicinal Chemistry - Anti-Infective Agents), Volume 7, Number 3, July 2008 , pp. 215-218(4)

Publisher: Bentham Science Publishers

Structure-Based Design of a Potent and Selective Small Peptide Inhibitor of Mycobacterium tuberculosis 6-Hydroxymethyl-7, 8-Dihydropteroate Synthase: A Computer Modelling Approach

Authors: Rao, Gita Subba; Kumar, Manoj

Source: Chemical Biology & Drug Design, Volume 71, Number 6, June 2008 , pp. 540-545(6)

Publisher: Blackwell Publishing

Enzyme-Substrate Binding Interaction Energies and Their Application to the Cytochrome P450 System

Authors: Lewis, David F.V.; Ito, Yuko; Goldfarb, Peter S.

Source: Current Computer - Aided Drug Design, Volume 4, Number 2, June 2008 , pp. 111-122(12)

Publisher: Bentham Science Publishers

Binding Site of Loperamide: Automated Docking of Loperamide in Human μ- and δ-Opioid Receptors

Authors: di Bosco, Antonio Mazzella; Grieco, Paolo; Diurno, Maria Vittoria; Campiglia, Pietro; Novellino, Ettore; Mazzoni, Orazio

Source: Chemical Biology & Drug Design, Volume 71, Number 4, April 2008 , pp. 328-335(8)

Publisher: Blackwell Publishing

Protein-ligand Docking: A Review of Recent Advances and Future Perspectives

Authors: Pujadas, Gerard; Vaque, Montserrat; Ardevol, Anna; Blade, Cinta; Salvado, M. J.; Blay, Mayte; Fernandez-Larrea, Juan; Arola, Lluis

Source: Current Pharmaceutical Analysis, Volume 4, Number 1, February 2008 , pp. 1-19(19)

Publisher: Bentham Science Publishers

Possible dynamic anchor points in a benzoxazinone derivative-human oxytocin receptor system — a molecular docking and dynamics calculation

Authors: Jójárt, Balázs; Márki, Árpád

Source: Journal of Molecular Modeling, Volume 13, Number 1, January 2007 , pp. 1-10(10)

Publisher: Springer

Docking of novel reversible monoamine oxidase-B inhibitors: efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties

Authors: Yelekçi, K.; Karahan, Ö.; Toprakçı, M.

Source: Journal of Neural Transmission, Volume 114, Number 6, June 2007 , pp. 725-732(8)

Publisher: Springer

Theoretical study on binding of S100B protein

Authors: Gieldon, Artur; Mori, Mattia; Conte, Rebecca

Source: Journal of Molecular Modeling, Volume 13, Number 11, November 2007 , pp. 1123-1131(9)

Publisher: Springer

Retrocyclin RC-101 overcomes cationic mutations on the heptad repeat 2 region of HIV-1 gp41

Authors: Fuhrman, Christopher A.; Warren, Andrew D.; Waring, Alan J.; Dutz, Stephen M.; Sharma, Shantanu; Lehrer, Robert I.; Cole, Amy L.; Cole, Alexander M.

Source: FEBS Journal, Volume 274, Number 24, December 2007 , pp. 6477-6487(11)

Publisher: Blackwell Publishing

Functional interaction of diphenols with polyphenol oxidase: Molecular determinants of substrate/inhibitor specificity

Authors: Kanade, Santosh R.; Suhas, V. L.; Chandra, Nagasuma; Gowda, Lalitha R.

Source: FEBS Journal, Volume 274, Number 16, August 2007 , pp. 4177-4187(11)

Publisher: Blackwell Publishing

Molecular docking study of the binding of aminopyridines within the K⁺ channel

Authors: Caballero, Norma; Meléndez, Francisco; Niño, Alfonso; Muñoz-Caro, Camelia

Source: Journal of Molecular Modeling, Volume 13, Number 5, May 2007 , pp. 579-586(8)

Publisher: Springer

Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study

Authors: Kulkarni, Ravindra; Srivani, Palukuri; Achaiah, Garlapati; Sastry, G.

Source: Journal of Computer-Aided Molecular Design, Volume 21, Number 4, April 2007 , pp. 155-166(12)

Publisher: Springer

Molecular docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database

Authors: Lauria, Antonino; Ippolito, Mario; Almerico, Anna

Source: Journal of Molecular Modeling, Volume 13, Number 3, March 2007 , pp. 393-400(8)

Publisher: Springer