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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

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 17

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Number 1



















Articles Ahead of Print






In Silico Binding Profile Analysis and In vitro Investigation on Chitin Synthase Substrate and Inhibitors from Maize Stem Borer, Chilo partellus


Dinakara Rao Ampasala*, Bhagath Kumar Palaka, Anbumani Velmurugan Ilavarasi, Ishwar Patidar, Lakshmi Priya Poovadan, Tuleshwori Devi Sapam and Sampathkumar Ranganathan


DOI: 10.2174/1573409916666201013150920
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 View on PubMed


Phenanthridine Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Design, Synthesis and Biological Evaluation


Reema Abu Khalaf*, Shorooq Alqazaqi, Maram Aburezeq, Dima Sabbah, Ghadeer Albadawi and Ghassan Abu Sheikha


DOI: 10.2174/1573409916666201007124122
View Abstract View on PubMed


Design and In-silico Screening of Peptide Nucleic Acid (PNA) Inspired Novel Pronucleotide Scaffolds Targeting COVID-19


Bichismita Sahu*, Santosh Kumar Behera, Rudradip Das, Tanay Dalvi, Arnab Chowdhury, Bhaskar Dewangan, Kiran Kalia and Amit Shard


DOI: 10.2174/1573409916666200923143935
View Abstract View on PubMed


Published Contents

Editor's Choice


Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives

, 2020; 16(6): 802 - 813

Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari


DOI: 10.2174/1573409915666191210125647










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



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

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


Research Article

Synthesis, in silico and biological studies of thiazolyl-2h-chromen-2-one derivatives as potent antitubercular agents

, 2020; 16(5): 511-522.

Bhagwat S. Jadhav, Ramesh S. Yamgar*, Rajesh S. Kenny, Suraj N. Mali, Hemchandra K. Chaudhari and Mustapha C. Mandewale


DOI: 10.2174/1386207322666190722162100


Research Article

3d-qsar and molecular docking studies on design anti-prostate cancer curcumin analogues

, 2020; 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

Synthesis, sar, molecular docking and anti-microbial study of substituted n-bromoamido-2-aminobenzothiazoles

, 2020; 16(5): 530-540.

Devidas G. Anuse*, Bapu R. Thorat, Sudhir Sawant, Ramesh S. Yamgar*, Hemchandra K. Chaudhari and Suraj N. Mali


DOI: 10.2174/1573409915666190902143648


Research Article

Synthesis and anti-mycobacterium study on halo-substituted 2-aryl oxyacetohydrazones

, 2020; 16(5): 618-628.

Vijay J. Desale, Suraj N. Mali, Hemchandra K. Chaudhari, Maya C. Mali, Bapu R. Thorat* and Ramesh S. Yamgar


DOI: 10.2174/1573409915666191018120611


Research Article

Synthesis, SAR, in silico appraisal and anti-microbial study of substituted 2-aminobenzothiazoles derivatives

, 2020; 16(6): 802-813.

Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari


DOI: 10.2174/1573409915666191210125647




Review Article

The monte carlo method as a tool to build up predictive qspr/qsar

, 2020; 16(3): 197-206.

Andrey A. Toropov* and Alla P. Toropova


DOI: 10.2174/1573409915666190328123112


Research Article

Targeting peptidyl-prolyl cis-trans isomerase nima-interacting 1: A structure-based virtual screening approach to find novel inhibitors

, 2020; 16(5): 605-617.

Kauê Santana da Costa*, João M. Galúcio, Deivid Almeida de Jesus, Guelber Cardoso Gomes, Anderson Henrique Lima e Lima, Paulo S. Taube, Alberto M. dos Santos and Jerônimo Lameira*


DOI: 10.2174/1573409915666191025114009


Research Article

Computational studies of bis-2-oxoindoline succinohydrazides and their in vitro cytotoxicity

, 2020; 16(3): 270-280.

Ravi Jarapula, Vishnu N. Badavath, Shriram Rekulapally and Sarangapani Manda*


DOI: 10.2174/1573409915666190117122139




Most Accessed Articles











In Silico Docking of Vitamin E Isomers on Transport Proteins

, 2020; 16(4): 467-472.

Nurul Syeefa Zulkiflee, Siti Amilia Awang, Woo Xian Ming, Muhammad Fauzan Wira’i Kamilan, M Yuveneshwari Mariappan and Tan Jen Kit*


DOI: 10.2174/1573409915666190614113733




Structure-based Discovery of Narirutin as a Shikimate kinase Inhibitor with Anti-tubercular Potency

, 2020; 16(5): 523-529.

Pramod Kumar Sahu, Pranab Kishor Mohapatra*, Dhanji Popatbhai Rajani and Mukesh Kumar Raval*


DOI: 10.2174/1573409915666191025112150





Editor-in-Chief

graphic
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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