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Current Computer-Aided Drug Design

Volume 17, 7 Issues, 2021
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access


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

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


Subhash C. Basak
Department of Chemistry & Biochemistry
University of Minnesota Duluth
Duluth, MN
View Full Editorial Board

Journal History

Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.

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