Bentham Science Logo

Track Your Manuscript:


Current Computer-Aided Drug Design

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

In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely 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

,

Volume 16

-

Number 6



Research Article



Research Article



Research Article



Research Article



Research Article

Development of 'S', 'N' Heterocycles as Antimycobacterials Targeting Fatty Acid Biosynthesis

, 16(6): 718 - 724

Lalita K. Dahiwade*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P. Dhavale and Harinath N. More


DOI: 10.2174/1573409915666191017150843


Research Article



Research Article

Multi-Targeted Design and Development of Dihydroisoquinolines as Potent Antimalarials

, 16(6): 734 - 740

Raviraj V. Mule*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P. Dhavale and Manish S. Bhatia


DOI: 10.2174/1573409915666191017145833


Research Article



Current Computer-Aided Drug Design, Volume 17 (2021) - Number 1


This issue is in progress but contains articles that are final and fully citable.

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


Abstracts Ahead of Print

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

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



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 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




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



Research Article

Characterization of the trypanosoma brucei pteridine reductase active-site using computational docking and virtual screening techniques

, 2020; 16(5): 583-598.

Hina Shamshad, Abdul Hafiz, Ismail I. Althagafi, Maria Saeed and Agha Zeeshan Mirza*


DOI: 10.2174/1573409915666190827163327



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

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.

Related Journals

Related eBooks

eBooks Catalog