Current Computer-Aided Drug Design

Editor-in-Chief

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)

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Most Cited Article

In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative

Volume:15   Issue:5
Pp: 445-455
Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale
DOI: 10.2174/1573409915666190206142756

In Silico Computations of Selective Phytochemicals as Potential Inhibitors Against Major Biological Targets of Diabetes Mellitus

Volume:15   Issue:5
Pp: 401-408
Ammara Akhtar, Anam Amir, Waqar Hussain, Abdul Ghaffar and Nouman Rasool*
DOI: 10.2174/1573409915666190130164923

Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors

Volume:14   Issue:1
Pp: 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

Virtual Screening Meets Deep Learning

Volume:15   Issue:1
Pp: 6-28
Javier Pérez-Sianes, Horacio Pérez-Sánchez and Fernando Díaz*
DOI: 10.2174/1573409914666181018141602

In silico Molecular Modelling of Selected Natural Ligands and their Binding Features with Estrogen Receptor Alpha

Volume:15   Issue:1
Pp: 89-96
V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky
DOI: 10.2174/1573409914666181008165356

Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Volume:14   Issue:3
Pp: 246-252
Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*
DOI: 10.2174/1573409914666180228111433

4D-QSAR Study of Some Pyrazole Pyridine Carboxylic Acid Derivatives By Electron Conformational-Genetic Algorithm Method

Volume:14   Issue:4
Pp: 370-384
Burak Tuzun, Sevtap Caglar Yavuz, Nazmiye Sabanci and Emin Saripinar*
DOI: 10.2174/1573409914666180514094202

Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review

Volume:14   Issue:1
Pp: 7-28
Chandana Adhikari and Bijay kumar Mishra*
DOI: 10.2174/1573409913666170711130304

Quality by Design Approach for Development and Characterisation of Solid Lipid Nanoparticles of Quetiapine Fumarate

Volume:16   Issue:1
Pp: 73-91
Shweta Agarwal*, Rayasa S. Ramachandra Murthy, Sasidharan Leelakumari Harikumar and Rajeev Garg
DOI: 10.2174/1573409915666190722122827

Indexing Natural Products for their Antifungal Activity by Filters-based Approach: Disclosure of Discriminative Properties

Volume:15   Issue:3
Pp: 235-242
Mahmoud Rayan, Ziyad Abdallah, Saleh Abu-Lafi, Mahmud Masalha and Anwar Rayan*
DOI: 10.2174/1573409914666181017100532

Molecular Docking Analysis of Caspase-3 Activators as Potential Anticancer Agents

Volume:15   Issue:1
Pp: 55-66
Sushil K. Kashaw*, Shivangi Agarwal, Mitali Mishra, Samaresh Sau and Arun K. Iyer
DOI: 10.2174/1573409914666181015150731

Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Against HIV using SMILES-based Descriptors

Volume:14   Issue:2
Pp: 152-159
Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat
DOI: 10.2174/1573409914666180112094156

Synthesis, In silico and Biological Studies of Thiazolyl-2h-chromen-2-one Derivatives as Potent Antitubercular Agents

Volume:16   Issue:5
Pp: 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

Parsimony Principle and its Proper use/ Application in Computer-assisted Drug Design and QSAR promotion: free to download

Volume:16   Issue:1
Pp: 1-5
Subhash C. Basak and Marjan G. Vracko
DOI: 10.2174/157340991601200106122854

VaxiJen Dataset of Bacterial Immunogens: An Update

Volume:15   Issue:5
Pp: 398-400
Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*
DOI: 10.2174/1573409915666190318121838

3D-QSAR and Molecular Docking Studies on Design Anti-Prostate Cancer Curcumin Analogues

Volume:16   Issue:3
Pp: 245-256
Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai
DOI: 10.2174/1573409914666181029123746

2D & 3D-QSAR Study on Novel Piperidine and Piperazine Derivatives as Acetylcholinesterase Enzyme Inhibitors

Volume:14   Issue:4
Pp: 391-397
Maryam Nazari, Sayyed Abbas Tabatabai and Elham Rezaee*
DOI: 10.2174/1573409914666180726092800