Contents

Current Computer-Aided Drug Design, Volume 13 - Number 4


Editorial


Research Article

Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1): An Important Therapeutic Target in Alzheimer's Disease

, 13(4): 266 - 274

Edeildo F. Silva-Junior, Paulo H. Barcellos Franca, Lucindo J. Quintans-Junior, Francisco J. B. Mendonca-Junior, Luciana Scotti, Marcus T. Scotti, Thiago M. de Aquino and Joao X. de Araujo-Junior*


DOI: 10.2174/1573409913666170406150905



Research Article

Insight Mechanism of the Selective Lanosterol Synthase Inhibitor: Molecular Modeling, Docking and Density Functional Theory Approaches

, 13(4): 275 - 293

Subramanian Karunagaran, Rengarajan Kavitha, Muthu Vadivelu, Keun Woo Lee and Chandrasekaran Meganathan*


DOI: 10.2174/1573409913666170426153509



Research Article

Multitargeted Molecular Docking Study of Natural-Derived Alkaloids on Breast Cancer Pathway Components

, 13(4): 294 - 302

Ramit Singla and Vikas Jaitak*


DOI: 10.2174/1573409913666170406144642



Research Article

CAPi: Computational Model for Apicoplast Inhibitors Prediction Against Plasmodium Parasite

, 13(4): 303 - 310

Surabhi Dixit and Deepak Singla*


DOI: 10.2174/1573409913666170301121110



Research Article

Screening and Elucidation of Selected Natural Compounds for Anti- Alzheimer’s Potential Targeting BACE-1 Enzyme: A Case Computational Study

, 13(4): 311 - 318

Syed Sayeed Ahmad, Salman Akhtar, Syed Mohd. Danish Rizvi, Mohammad A. Kamal, Usman Sayeed, Mohd. Kalim A. Khan, Mohd. Haris Siddiqui* and Jamal M. Arif


DOI: 10.2174/1573409913666170414123825



Research Article

An Integrated Computational Approach for Plant-Based Protein Tyrosine Phosphatase Non-Receptor Type 1 Inhibitors

, 13(4): 319 - 335

Shabana Bibi and Katsumi Sakata*


DOI: 10.2174/1573409913666170406145607



Research Article

An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel- Type Indoles with Enhancing Cytotoxic Profiles

, 13(4): 336 - 345

Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha* and Shovanlal Gayen*


DOI: 10.2174/1573409913666170309150014



Review Article

Computer-Aided Structure Based Drug Design Approaches for the Discovery of New Anti-CHIKV Agents

, 13(4): 346 - 361

Surender Singh Jadav*, Barij Nayan Sinha, Rolf Hilgenfeld and Venkatesan Jayaprakash


DOI: 10.2174/1573409913666170309145308





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