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Current Computer-Aided Drug Design

Volume 18, 7 Issues, 2022
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


Volume 18


Number 2

Research Article

An Evaluation of Computational Learning-based Methods for the Segmentation of Nuclei in Cervical Cancer Cells from Microscopic Images

, 18(2): 81 - 94

Tarek Maylaa*, Feryal Windal, Halim Benhabiles, Gregory Maubon, Nathalie Maubon, Elodie Vandenhaute and Dominique Collard

DOI: 10.2174/1573409918666220208120756

Research Article

In silico and in vitro Estimation of Structure and Biological Affinity of 1,3- Oxazoles: Fragment-to-fragment Approach

, 18(2): 95 - 109

Nataliya V. Obernikhina*, Olexandr L. Kobzar, Marina V. Kachaeva, Oleksiy D. Kachkovsky and Volodymyr S. Brovarets

DOI: 10.2174/1573409918666220404100022

Research Article

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

, 18(2): 110 - 119

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

DOI: 10.2174/1573409917666211118094840

Research Article

Design of Multitarget Natural Products Analogs with Potential Anti-Alzheimer's Activity

, 18(2): 120 - 149

Franciane Nunes de Souza, Henrique Barros de Lima, Lucilene Rocha de Souza, Gabrieli Santos Oliveira, Carlos Henrique Tomich de Paula da Silva, Arlindo César Matias Pereira and Lorane Izabel da Silva Hage-Melim*

DOI: 10.2174/1573409918666220328141605

Abstracts Ahead of Print

Structure-Based In silico and In Vitro Analysis reveals Asiatic Acid As Novel Potential Inhibitor of Mycobacterium tuberculosis Maltosyl Transferase

Kratika Singh, Akanksha Sharma, Tarun K. Upadhyay, Mohammad Hayat-ul-Islam, M. Kalim A. Khan, Upendra N. Dwivedi and Rolee Sharma*

DOI: 10.2174/1573409918666220623105908
View Abstract

In silico study and solvent-free one-pot synthesis of Tetrahydropyrimidinederivatives by Mechanochemistry approach for targeting human neutrophil elastase against lung cancer

Ashish Patel*, Karan Gandhi, Sweta Shah, Darshan Patel, Shreyas Chhatbar, Drashti Shah, Stuti Patel, Harnisha Patel and Tushar Bambharoliya

DOI: 10.2174/1573409918666220622232501
View Abstract

A Reverse Structure-Based Design of HPV E7 Inhibitor

Wan Chein Tan, Shatrah Othman*, See K. Lim, Nurshamimi Nor Rashida and Choon Han Heh

DOI: 10.2174/1573409918666220509214449
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

Most Cited Articles

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

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

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 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

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

Most Accessed Articles

Fragment-based Discovery of Potential Anticancer Lead: Computational and in vitro Studies

, 2021; 17(3): 421-428.

Balgoname, Abdulmalek A.; Alomair, Sufyan M.; AlMubirek, Abdulrahman K.; Khedr, Mohammed A.

DOI: 10.2174/1573409916666200620195025

Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods

, 2021; 17(1): 38-56.

Kianpour, Mina; Mohammadinasab, Esmat; Esfahani, Tahereh Momeni

DOI: 10.2174/1573409916666191227093237

Identification of Novel Cyclin A2 Binding site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex

, 2021; 17(1): 57-68.

Kim, Stephanie S.; Alves, Michele Joana; Gygli, Patrick; Otero, Jose; Lindert, Steffen

DOI: 10.2174/1573409916666191231113055

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

, 2021; 17(2): 161-172.

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

DOI: 10.2174/1573409916666200120114641


Dong-Qing Wei
(11801 citations)
State Key Laboratory of Microbial Metabolism and College of Life Sciences and Biotechnology
Shanghai Jiao Tong University
View Full Editorial Board

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