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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 3

















Research Article



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






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



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

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


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

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


Research Article

Molecular docking analysis of caspase-3 activators as potential anticancer agents

, 2019; 15(1): 55-66.

Sushil K. Kashaw*, Shivangi Agarwal, Mitali Mishra, Samaresh Sau and Arun K. Iyer


DOI: 10.2174/1573409914666181015150731


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 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, 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



Most Accessed Articles

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



In Silico and In Vitro Studies of Natural Compounds as Human CK2 Inhibitors

, 2021; 17(2): 323-331.

Samer Haidar*, Franziska Jürgens, Dagmar Aichele and Joachim Jose


DOI: 10.2174/1573409916666200311150744











Investigation of New Inhibitors of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) by Virtual Screening with Antibacterial Assessment

, 2021; 17(2): 214-224.

Ilham Boulhissa*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Mohammad A. Ghattas, El H. Mokrani, Sara Alrawashdeh and Dana E.E. Obaid


DOI: 10.2174/1573409916666200213124929


Design and Synthesis of New Antifungals Based on N-Un-substituted Azoles as 14α Demethylase Inhibitor

, 2021; 17(2): 235-243.

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


DOI: 10.2174/1573409916666200217090855





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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