Current Computer-Aided Drug Design

Editor-in-Chief

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

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

Volume:16   Issue: 3
Pp: 197-206
Andrey A. Toropov* and Alla P. Toropova
DOI: 10.2174/1573409915666190328123112




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

Volume:16   Issue: 3
Pp: 207-221
Etratsadat Dadfar, Fatemeh Shafiei* and Tahereh M. Isfahani
DOI: 10.2174/1573409915666190301124714




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

Volume:16   Issue: 3
Pp: 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




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

Volume:16   Issue: 3
Pp: 231-237
Aditya R. SJ, Ramesh CK, Raghavendra S and Paramesha M*
DOI: 10.2174/1573409915666190301142811




In Silico Design of Fusion Toxin DT389GCSF and a Comparative Study

Volume:16   Issue: 3
Pp: 238-244
Maryam G. Siahmazgi, Mohammad A.N. Khalili*, Fathollah Ahmadpour, Sirus Khodadadi and Mehdi Zeinoddini
DOI: 10.2174/1573409914666181012151242




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




Partial Order in Environmental Chemistry

Volume:16   Issue: 3
Pp: 257-269
Rainer Bruggemann* and Lars Carlsen
DOI: 10.2174/1573409915666190416160350




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

Volume:16   Issue: 3
Pp: 270-280
Ravi Jarapula, Vishnu N. Badavath, Shriram Rekulapally and Sarangapani Manda*
DOI: 10.2174/1573409915666190117122139




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

Volume:16   Issue: 3
Pp: 281-294
Bhawna Chopra*, Ashwani K. Dhingra, Deo N. Prasad, Sakshi Bhardwaj and Sonal Dubey
DOI: 10.2174/1573409915666190710092032




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

Volume:16   Issue: 3
Pp: 295-307
Reema A. Khalaf*, Dalal Masalha and Dima Sabbah
DOI: 10.2174/1573409915666181211114743




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

Volume:16   Issue: 3
Pp: 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




Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives

Volume:16   Issue: 3
Pp: 327-339
Thomas Scior*, Hassan H. Abdallah, Kenia Salvador-Atonal and Stefan Laufer
DOI: 10.2174/1573409915666191010104527




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

Volume:16   Issue: 3
Pp: 340-350
Sucharita M., Poorani B. and Priya Swaminathan*
DOI: 10.2174/1573409915666190528114703