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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

Ranking and Category

  • 54th of 61 in

    Chemistry, Medicinal

  • 89th of 106 in

    Computer Science, Interdisciplinary Applications

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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 2



Research Article



Research Article

In silico Analysis of Sulpiride, Synthesis, Characterization and In vitro Studies of its Nanoparticle for the Treatment of Schizophrenia

, 16(2): 104 - 121

Serda Kecel-Gunduz*, Yasemin Budama-Kilinc, Rabia Cakir-Koc, Tolga Zorlu, Bilge Bicak, Yagmur Kokcu, Zeynep Kaya, Aysen E. Ozel and Sevim Akyuz


DOI: 10.2174/1573409915666190627125643


Research Article



Research Article



Research Article



Research Article



Research Article



Research Article



Articles Ahead of Print











Abstracts Ahead of Print





Design and synthesis of new antifungals based on N- un-substituted azoles as 14α demethylase inhibitor


Asghar Davood*, Aneseh Rahimi, Maryam Iman, Parisa Azerang, Soroush Sardari and Arash Mahboubi


DOI: 10.2174/1573409916666200217090855
View Abstract




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






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

, 2017; 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



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 Cited Articles

Research Article

In silico molecular modelling of selected natural ligands and their binding features with estrogen receptor alpha

, 2019; 15(1): 89-96.

V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky


DOI: 10.2174/1573409914666181008165356


Research Article

In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative

, 2019; 15(5): 445-455.

Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale


DOI: 10.2174/1573409915666190206142756



Research Article

Synthesis, antibacterial activity and molecular docking of phospholidinones in stigmastane series

, 2019; 15(3): 259-264.

Azhar U. Khan, Mahboob Alam*, Soonheum Park, Poonam Dwivedi, Sunil K. Sharma and Sapna Jain


DOI: 10.2174/1573409914666181029122448


Research Article

Indexing natural products for their antifungal activity by filters-based approach: Disclosure of discriminative properties

, 2019; 15(3): 235-242.

Mahmoud Rayan*, Ziyad Abdallah, Saleh Abu-Lafi, Mahmud Masalha and Anwar Rayan*


DOI: 10.2174/1573409914666181017100532





Vaxijen dataset of bacterial immunogens: An update

, 2019; 15(5): 398-400.

Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*


DOI: 10.2174/1573409915666190318121838


Research Article

Virtual screening strategy combined bayesian classification model, molecular docking for acetyl-coa carboxylases inhibitors

, 2019; 15(3): 193-205.

Wei-Neng Zhou, Yan-Min Zhang, Xin Qiao, Jing Pan, Ling-Feng Yin, Lu Zhu, Jun-Nan Zhao, Shuai Lu, Tao Lu, Ya-Dong Chen* and Hai-Chun Liu *


DOI: 10.2174/1573409914666181109110030



Research Article

Comparative docking studies: A drug design tool for some pyrazine-thiazolidinone based derivatives for anti-HIV activity

, 2019; 15(3): 252-258.

Kalyani Dhirendra Asgaonkar*, Shital Manoj Patil*, Trupti Sameer Chitre, Vaibhav Nanabhau Ghegade, Saurabh Radhaji Jadhav, Sajid Shaukat Sande and Atharva Sudhakar Kulkarni


DOI: 10.2174/1573409915666181219125944


Research Article

A novel amino acid sequence-based computational approach to predicting cell-penetrating peptides

, 2019; 15(3): 206-211.

Jihui Tang*, Jie Ning , Xiaoyan Liu , Baoming Wu and Rongfeng Hu *


DOI: 10.2174/1573409914666180925100355



Research Article

2D QSAR analysis of substituted quinoxalines for their antitubercular and antileptospiral activities

, 2019; 15(2): 182-192.

Ramalakshmi Natarajan*, Ayarivan Puratchikody, Vignesh Muralidharan, Mukesh Doble* and Arunkumar Subramani


DOI: 10.2174/1573409914666181011145922



Most Accessed Articles



Computational Drug Designing and Prediction Of Important Parameters Using in silico Methods- A Review

, 2019; 15(5): 384-397.

Tahmeena Khan*, Alfred J. Lawrence, Iqbal Azad, Saman Raza, Seema Joshi and Abdul Rahman Khan


DOI: 10.2174/1573399815666190326120006


Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one Derivatives

, 2019; 15(5): 433-444.

Trupti S. Chitre*, Shital M. Patil, Anagha G. Sujalegaonkar, Kalyani D. Asgaonkar, Vijay M. Khedkar, Dinesh R. Garud, Prakash C. Jha, Sharddha Y. Gaikwad, Smita S. Kulkarni, Amit Choudhari and Dhiman Sarkar


DOI: 10.2174/1573409915666181221102903


In-Silico QSAR Modelling of Predicted Rho Kinase Inhibitors Against Cardio Vascular Diseases

, 2019; 15(5): 421-432.

Seema Kesar*, Sarvesh Paliwal, Swapnil Sharma, Pooja Mishra, Monika Chauhan, Richa Arya, Kirtika Madan and Shagufta Khan


DOI: 10.2174/1573409915666190307163437






VaxiJen Dataset of Bacterial Immunogens: An Update

, 2019; 15(5): 398-400.

Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*


DOI: 10.2174/1573409915666190318121838




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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