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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

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Volume 18

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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









Editor-in-Chief

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

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