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Current Computer-Aided Drug Design

Volume 16, 6 Issues, 2020
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
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In the current Pandemic scenario, all articles related to Coronavirus will be processed on a quick track basis, to ensure timely review and publication of much needed research

Aims & Scope

Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design.

Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews/mini-reviews, original research articles and letter articles written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, theoretical chemistry; computational chemistry; computer and molecular graphics; molecular modeling; protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage etc., providing excellent rationales for drug development.

Current Computer-Aided Drug Design

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Volume 16

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Number 3



Review Article



Research Article



Research Article

Virtual Screening for Type II B Inhibitors of B-RafV600E Kinase

, 16(3): 222 - 230

Kai-Xiong Qiu, Wen Zhang, Fang Yu, Wei Li, Zhong-Wen Sun, Shu-Qun Zhang, Ya-Juan Chen and Hui-Ding Xie*


DOI: 10.2174/1573409915666190130162821


Research Article



Research Article

In Silico Design of Fusion Toxin DT389GCSF and a Comparative Study

, 16(3): 238 - 244

Maryam G. Siahmazgi, Mohammad A.N. Khalili*, Fathollah Ahmadpour, Sirus Khodadadi and Mehdi Zeinoddini


DOI: 10.2174/1573409914666181012151242


Research Article

3D-QSAR and Molecular Docking Studies on Design Anti-Prostate Cancer Curcumin Analogues

, 16(3): 245 - 256

Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai


DOI: 10.2174/1573409914666181029123746


Research Article



Research Article



Articles Ahead of Print





Molecular Docking and In vitro Analysis of Fagonia Cretica and Berberis Lyceum Extracts Against Brucella Melitensis


Ijaz Muhammad, Sadaf Niaz, Gul E Nayab, Anwar Hussain, Saghir Ahmad, Noor Rahman, Haroon Khan and Abid Ali*


DOI: 10.2174/1573409916666200612145712
View Abstract View on PubMed




A comprehensive in silico study towards understanding the inhibitory mechanism of Lactoperoxidase by Dapsone and Propofol


Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Jayaraman Muthukumaran, Rashmi Prabha Singh and Amit Kumar Singh*


DOI: 10.2174/1573409916666200628104134
View Abstract


Application of Molecular Docking for the Development of Improved HIV-1 Reverse Transcriptase Inhibitors


Arash Soltani*, Seyed Isaac Hashemy, Farnaz Zahedi Avval, Houshang Rafatpanah, Seyed Abdolrahim Rezaee, Renate Griffith and Baratali Mashkani


DOI: 10.2174/1573409916666200628103359
View Abstract



Abstracts Ahead of Print

There are currently no Abstracts Ahead of Print available for this journal.

Published Contents

Editor's Choice






Broad Spectrum Peptide Vaccine Design Against Hepatitis C Virus

, 2019; 15(2): 120 - 135

Sherly Kurnia Dewi, Soegianto Ali and Vivitri Dewi Prasasty*


DOI: 10.2174/1573409914666181003151222



Virtual Screening Meets Deep Learning

, 2019; 15(1): 6 - 28

Javier Pérez-Sianes, Horacio Pérez-Sánchez and Fernando Díaz*


DOI: 10.2174/1573409914666181018141602






Open Access Articles




Antiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight

, 2015; 11(1): 21 - 31

Thomas Scior, Jorge Lozano-Aponte, Subhash Ajmani, Eduardo Hernández-Montero, Fabiola Chávez-Silva, Emanuel Hernández-Núñez, Rosa Moo-Puc, Andres Fraguela-Collar and Gabriel Navarrete-Vázquez




Structure-Guided Design of Antibodies

, 2010; 6(2): 128 - 138

Justin A. Caravella, Deping Wang, Scott M. Glaser and Alexey Lugovskoy




Discovery of Potent Anti-SARS-CoV MPro Inhibitors

, 2007; 3(3): 191 - 200

Suzanne Sirois, Rui Zhang, Weina Gao, Hui Gao, Yun Li, Huiqin Zheng and Dong-Qing Wei






Most Accessed Articles



Virtual Screening Meets Deep Learning

, 2019; 15(1): 6-28.

Javier Pérez-Sianes, Horacio Pérez-Sánchez and Fernando Díaz*


DOI: 10.2174/1573409914666181018141602







Quality by Design Approach for Development and Characterisation of Solid Lipid Nanoparticles of Quetiapine Fumarate

, 2020; 16(1): 73-91.

Shweta Agarwal*, Rayasa S. Ramachandra Murthy, Sasidharan Leelakumari Harikumar and Rajeev Garg


DOI: 10.2174/1573409915666190722122827



Editor-in-Chief

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)
Biography 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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