Contents

Current Topics in Medicinal Chemistry, Volume 12 - Number 16

Editorial

Editorial [Hot Topic: QSAR Models for Computer-Aided Drug Design and Molecular Docking for Disorders of the Central Nervous System and Other Diseases]

, 12(16): 1731 - 1733

Francisco Prado-Prado and Xerardo Garcia-Mera


DOI: 10.2174/1568026611209061731




QSAR and Molecular Docking Techniques for the Discovery of Potent Monoamine Oxidase B Inhibitors: Computer-Aided Generation of New Rasagiline Bioisosteres

, 12(16): 1734 - 1747

Alejandro Speck-Planche and Valeria V. Kleandrova


DOI: 10.2174/1568026611209061734




Dipeptide Inhibitors of Thermolysin and Angiotensin I-Converting Enzyme

, 12(16): 1748 - 1762

Mahmud Tareq Hassan Khan, Kenichi Dedachi, Toshiro Matsui, Noriyuki Kurita, Monica Borgatti, Roberto Gambari and Ingebrigt Sylte


DOI: 10.2174/1568026611209061748




Identification of LOGP Values and Electronegativities As Structural Insights to Model Inhibitory Activity of HIV-1 Capsid Inhibitors - A SVM and MLR Aided QSAR Studies

, 12(16): 1763 - 1774

Nishant Sharma, K.R. Ethiraj, Mukesh Yadav, Anuraj Nayarisseri S, Mona Chaurasiya, Raju Naik Vankudavath and K. Rajender Rao


DOI: 10.2174/1568026611209061763




Structure-Activity Relationship and Efficacy of Pyridinium Oximes in the Treatment of Poisoning with Organophosphorus Compounds: A Review of Recent Data

, 12(16): 1775 - 1789

Milan Jokanovic


DOI: 10.2174/1568026611209061775




A Parallel Systematic-Monte Carlo Algorithm for Exploring Conformational Space

, 12(16): 1790 - 1796

Yasset Perez-Riverol, Roberto Vera, Yuliet Mazola and Alexis Musacchio


DOI: 10.2174/1568026611209061790




Manipulating Kynurenic Acid Levels in the Brain – On the Edge Between Neuroprotection and Cognitive Dysfunction

, 12(16): 1797 - 1806

Levente Szalardy, Denes Zadori, Jozsef Toldi, Ferenc Fulop, Peter Klivenyi and Laszlo Vecsei


DOI: 10.2174/1568026611209061797




Computational Approaches to Screen Candidate Ligands with Anti- Parkinson’s Activity Using R Programming

, 12(16): 1807 - 1814

R.M. Jayadeepa and M.S. Niveditha


DOI: 10.2174/1568026611209061807




Immunotoxicity, Flow Cytometry, and Chemoinformatics: Review, Bibliometric Analysis, and New QSAR Model of Drug Effects Over Macrophages

, 12(16): 1815 - 1833

Esvieta Tenorio-Borroto, Claudia G. Penuelas-Rivas, Juan C. Vasquez-Chagoyan, Francisco J. Prado-Pradoa, Xerardo Garcia-Mera and Humberto Gonzalez-Diaz


DOI: 10.2174/1568026611209061815




Review on Chemogenomics Approach: Interpreting Antagonist Activity of Secreted Frizzled-Related Protein 1 in Glaucoma Disease with In-Silico Docking

, 12(16): 1834 - 1842

Kirtan Dave and Hetalkumar Panchal


DOI: 10.2174/1568026611209061834




3D MI-DRAGON: New Model for the Reconstruction of US FDA Drug- Target Network and Theoretical-Experimental Studies of Inhibitors of Rasagiline Derivatives for AChE

, 12(16): 1843 - 1865

Francisco Prado-Prado, Xerardo Garcia-Mera, Manuel Escobar, Nerea Alonso, Olga Caamano, Matilde Yanez and Humberto Gonzalez-Diaz


DOI: 10.2174/1568026611209061843




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