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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

Contents

Current Computer-Aided Drug Design, Volume 16 - Number 3

Review Article

The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR

, 16(3): 197 - 206

Andrey A. Toropov* and Alla P. Toropova


DOI: 10.2174/1573409915666190328123112



Research Article

Structural Relationship Study of Octanol-Water Partition Coefficient of Some Sulfa Drugs Using GA-MLR and GA-ANN Methods

, 16(3): 207 - 221

Etratsadat Dadfar, Fatemeh Shafiei* and Tahereh M. Isfahani


DOI: 10.2174/1573409915666190301124714



Research Article

Virtual Screening for Type II B Inhibitors of B-RafV600E Kinase

, 16(3): 222 - 230

Kai-Xiong Qiu, Wen Zhang, Fang Yu, Wei Li, Zhong-Wen Sun, Shu-Qun Zhang, Ya-Juan Chen and Hui-Ding Xie*


DOI: 10.2174/1573409915666190130162821



Research Article

Dehydroabietylamine, A Diterpene from Carthamus tinctorious L. Showing Antibacterial and Anthelmintic Effects with Computational Evidence

, 16(3): 231 - 237

Aditya R. SJ, Ramesh CK, Raghavendra S and Paramesha M*


DOI: 10.2174/1573409915666190301142811



Research Article

In Silico Design of Fusion Toxin DT389GCSF and a Comparative Study

, 16(3): 238 - 244

Maryam G. Siahmazgi, Mohammad A.N. Khalili*, Fathollah Ahmadpour, Sirus Khodadadi and Mehdi Zeinoddini


DOI: 10.2174/1573409914666181012151242



Research Article

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

, 16(3): 245 - 256

Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai


DOI: 10.2174/1573409914666181029123746



Research Article


Research Article

Computational Studies of bis-2-Oxoindoline Succinohydrazides and their In Vitro Cytotoxicity

, 16(3): 270 - 280

Ravi Jarapula, Vishnu N. Badavath, Shriram Rekulapally and Sarangapani Manda*


DOI: 10.2174/1573409915666190117122139



Research Article

Synthesis and In Silico Molecular Docking Studies on Substituted Piperic Acid Derivatives as Inhibitors of Bacterial DNA Gyrase

, 16(3): 281 - 294

Bhawna Chopra*, Ashwani K. Dhingra, Deo N. Prasad, Sakshi Bhardwaj and Sonal Dubey


DOI: 10.2174/1573409915666190710092032



Research Article

DPP-IV Inhibitory Phenanthridines: Ligand, Structure-Based Design and Synthesis

, 16(3): 295 - 307

Reema A. Khalaf*, Dalal Masalha and Dima Sabbah


DOI: 10.2174/1573409915666181211114743



Research Article


Research Article

Inhibition of 2C Coxsackie B Virus Protein to Decrease Pathogenicity of Diabetes Mellitus Type 1

, 16(3): 318 - 326

Amina Amin, Muhammad A. Rasheed*, Rana A. Diwan, Muhammad Shahid, Saddia Bano, Adnan Riaz, Muhammad N. Iqbal and Muhammad W. Sajid


DOI: 10.2174/1573409915666190820154422



Research Article

Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives

, 16(3): 327 - 339

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


DOI: 10.2174/1573409915666191010104527



Research Article

An in silico Workflow that Yields Experimentally Comparable Inhibitors for Human Dihydroorotate Dehydrogenase

, 16(3): 340 - 350

Sucharita M., Poorani B. and Priya Swaminathan*


DOI: 10.2174/1573409915666190528114703




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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