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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 5

















Articles Ahead of Print








Nitric Oxide Inhibition Assay and the Respective Target Identification of an Aptamer Designed to Control Atherosclerosis


Anant Achary*, Subramanian Manibalan, Pilavadiyan Akshaysri, Sethuraman Thabusree, Madasamy Chitra and Mani Vasanthi


DOI: 10.2174/1573409917666210203092946
View Abstract View on PubMed




Abstracts Ahead of Print

Effects of Smokeless Tobacco Samples from Tabuk Saudi Arabia on Nitric Oxide Production: A Potential Risk for Cancer and Cardiovascular Diseases


Muhammed Ahmed Mesaik, Almas Jabeen*, Maria Saeed, Zaheer Ul-Haq, Izzaddinn Elawad Ahmed, Yassin Ibrahim, Hyder Osman Mirghani and Asaad Khalid


DOI: 10.2174/1573409917666211118094840
View Abstract


Published Contents

Editor's Choice




Synthesis, In vitro, and Docking Analysis of C-3 Substituted Coumarin Analogues as Anticancer Agents

, 2021; 17(2): 161 - 172

Anuradha Thakur, Kamalpreet Kaur, Praveen Sharma, Ramit Singla, Sandeep Singh and Vikas Jaitak*


DOI: 10.2174/1573409916666200120114641




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







Open Access Articles


Antioxidant, Cytotoxic Activity and Pharmacokinetic Studies by Swiss Adme, Molinspiration, Osiris and DFT of PhTAD-substituted Dihydropyrrole Derivatives

, 2021; 17: 1 - 12 (E-Pub Ahead of Print)

Arif Ayar*, Masuk Aksahin, Seda Mesci, Burak Yazgan, Melek Gül and Tuba Yıldırım




Large-scale Prediction of Drug-Protein Interactions Based on Network Information

, 2021; 17: 1 - 9 (E-Pub Ahead of Print)

Xinsheng Li, Daichuan Ma*, Yan Ren, Jiesi Luo and Yizhou Li








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 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


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



Review Article

Virtual screening meets deep learning

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

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


DOI: 10.2174/1573409914666181018141602


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

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

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

Synthesis, in silico and in vitro analysis of hydrazones as potential antituberculosis agents

, 2021; 17(2): 294-306.

Bapu R. Thorat*, Suraj N. Mali*, Deepa Rani and Ramesh S. Yamgar


DOI: 10.2174/1573409916666200302120942


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



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



Most Accessed Articles








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

, 2021; 17(4): 538-549.

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


DOI: 10.2174/1573409916666200628103359








A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol

, 2021; 17(4): 550-559.

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


DOI: 10.2174/1573409916666200628104134




Editor-in-Chief

graphic
Subhash C. Basak
Department of Chemistry & Biochemistry
Center for Water and the Environment, Natural Resources Research Institute
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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