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Current Computer-Aided Drug Design

Volume 15, 5 Issues, 2019
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access

Ranking and Category

  • 54th of 61 in

    Chemistry, Medicinal

  • 89th of 106 in

    Computer Science, Interdisciplinary Applications

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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 15

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Number 5



Editorial   Open Access



Review Article



Review Article



VaxiJen Dataset of Bacterial Immunogens: An Update

, 15(5): 398 - 400

Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*


DOI: 10.2174/1573409915666190318121838


Research Article



Research Article



Research Article

In-Silico QSAR Modelling of Predicted Rho Kinase Inhibitors Against Cardio Vascular Diseases

, 15(5): 421 - 432

Seema Kesar*, Sarvesh Paliwal, Swapnil Sharma, Pooja Mishra, Monika Chauhan, Richa Arya, Kirtika Madan and Shagufta Khan


DOI: 10.2174/1573409915666190307163437


Research Article

Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one Derivatives

, 15(5): 433 - 444

Trupti S. Chitre*, Shital M. Patil, Anagha G. Sujalegaonkar, Kalyani D. Asgaonkar, Vijay M. Khedkar, Dinesh R. Garud, Prakash C. Jha, Sharddha Y. Gaikwad, Smita S. Kulkarni, Amit Choudhari and Dhiman Sarkar


DOI: 10.2174/1573409915666181221102903


Articles Ahead of Print





Proposition of Potential GSK-3β Inhibitors for the Treatment of Alzheimer`s Disease: A Molecular Modeling Study


Leandro L. Castro, Leide C. S. Picanço, Jaderson V. Silva, Lucilene R. Souza, Kessia P. A. Sousa, Abraão A. Pinheiro, Gisele A. Chaves, Hueldem R. C. Teixeira, Guilherme M. Silva, Carlton A. Taft, Carlos Henrique Tomich de Paula da Silva and Lorane Izabel da Silva Hage-Melim*


DOI: 10.2174/1573409915666191015110734
View Abstract


Synthesis and Anti-mycobacterium Study on Halo-substituted 2-aryl oxyacetohydrazones


Vijay J. Desale, Suraj N. Mali, Hemchandra K. Chaudhari, Maya C. Mali, Bapu R. Thorat* and Ramesh S. Yamgar


DOI: 10.2174/1573409915666191018120611
View Abstract


Interactions of Flavone and Steroid from A. subintegra as Potential Inhibitors for Porcine Pancreatic Lipase


Mastura Ibrahim, Saripah Salbiah Syed Abdul Azziz*, Chee Fah Wong, Yuhanis Mhd Bakri and Fauziah Abdullah


DOI: 10.2174/1573409915666191015112320
View Abstract


Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives


Thomas Scior*, Hassan H. Abdallah, Kenia Salvador- Atonal and Stefan Laufer


DOI: 10.2174/1573409915666191010104527
View Abstract




Abstracts Ahead of Print



Targeting Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors


Kauê Santana da Costa*, João Marcos Galúcio, Deivid Almeida de Jesus, Guelber Cardoso Gomes, Anderson Henrique Lima e Lima, Paulo Sérgio Taube, Alberto Monteiro dos Santos and Jerônimo Lameira


DOI: 10.2174/1573409915666191025114009
View Abstract




Multi-targeted design and development of dihydroisoquinolines as potent antimalarial


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


DOI: 10.2174/1573409915666191017145833
View Abstract




Published Contents

Editor's Choice




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






Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1): An Important Therapeutic Target in Alzheimer's Disease

, 2017; 13(4): 266 - 274

Edeildo F. Silva-Junior, Paulo H. Barcellos Franca, Lucindo J. Quintans-Junior, Francisco J. B. Mendonca-Junior, Luciana Scotti, Marcus T. Scotti, Thiago M. de Aquino and Joao X. de Araujo-Junior*


DOI: 10.2174/1573409913666170406150905




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

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

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


Research Article

Quantitative structure-activity relationship study of betulinic acid derivatives against HIV using SMILES-based descriptors

, 2018; 14(2): 152-159.

Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat


DOI: 10.2174/1573409914666180112094156


Research Article

Synthesis, antibacterial activity and molecular docking of phospholidinones in stigmastane series

, 2019; 15(3): 259-264.

Azhar U. Khan, Mahboob Alam*, Soonheum Park, Poonam Dwivedi, Sunil K. Sharma and Sapna Jain


DOI: 10.2174/1573409914666181029122448




Research Article

Molecular modeling, docking, dynamics and simulation of gefitinib and its derivatives with EGFR in non-small cell lung cancer

, 2018; 14(3): 246-252.

Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*


DOI: 10.2174/1573409914666180228111433


Research Article

Finding novel anti-carcinomas compounds by targeting SFRP4 through molecular modeling, docking and dynamic simulation studies

, 2018; 14(2): 160-173.

M. Hassan , M. Azhar, Q. Abbas, H. Raza, A.A. Moustafa, S. Shahzadi, Z. Ashraf* and S.Y. Seo*


DOI: 10.2174/1573409914666180112100122


Review Article

Quantitative structure-activity relationships of aquatic narcosis: A review

, 1 March 2018; 14(1): 7-28.

Chandana Adhikari and Bijay kumar Mishra*


DOI: 10.2174/1573409913666170711130304


Research Article

Molecular docking studies applied to a dataset of cruzain inhibitors

, 1 March 2018; 14(1): 68-78.

Edeildo Ferreira da Silva-Junior, Paulo Henrique Barcellos Franca, Frederico Favaro Ribeiro, Francisco Jaime Bezerra Mendonca-Junior, Luciana Scotti*, Marcus Tullius Scotti, Thiago Mendonca de Aquino and Joao Xavier de Araujo-Junior


DOI: 10.2174/1573409913666170519112758




Research Article

A novel amino acid sequence-based computational approach to predicting cell-penetrating peptides

, 2019; 15(3): 206-211.

Jihui Tang*, Jie Ning , Xiaoyan Liu , Baoming Wu and Rongfeng Hu *


DOI: 10.2174/1573409914666180925100355


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



Most Accessed Articles


Virtual Screening Strategy Combined Bayesian Classification Model, Molecular Docking for Acetyl-CoA Carboxylases Inhibitors

, 2019; 15(3): 193-205.

Wei-Neng Zhou, Yan-Min Zhang, Xin Qiao, Jing Pan, Ling-Feng Yin, Lu Zhu, Jun-Nan Zhao, Shuai Lu, Tao Lu, Ya-Dong Chen* and Hai-Chun Liu *


DOI: 10.2174/1573409914666181109110030












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.
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