Current Computer-Aided Drug Design
Volume 17, 7 Issues, 2021
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
Most Cited Articles
Research Article
Theoretical studies on the selectivity mechanisms of glycogen synthase kinase 3β (GSK3β) with pyrazine ATP-competitive inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation and free energy calculations
, 2020; 16(1): 17-30.Jingyu Zhu*, Yuanqing Wu, Lei Xu and Jian Jin*
DOI: 10.2174/1573409915666190708102459
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
Multiple-targets directed screening of flavonoid compounds from citrus species to find out antimalarial lead with predicted mode of action: An in silico and whole cell-based in vitro approach
, 2021; 17(1): 69-82.Neelutpal Gogoi*, Dipak Chetia, Bhaskarjyoti Gogoi and Aparoop Das
DOI: 10.2174/1573409916666191226103000
Research Article
Targeting peptidyl-prolyl cis-trans isomerase nima-interacting 1: A structure-based virtual screening approach to find novel inhibitors
, 2020; 16(5): 605-617.Kauê Santana da Costa*, João M. Galúcio, Deivid Almeida de Jesus, Guelber Cardoso Gomes, Anderson Henrique Lima e Lima, Paulo S. Taube, Alberto M. dos Santos and Jerônimo Lameira*
DOI: 10.2174/1573409915666191025114009
Research Article
3d-qsar and molecular docking studies on design anti-prostate cancer curcumin analogues
, 2020; 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
Synthesis, sar, molecular docking and anti-microbial study of substituted n-bromoamido-2-aminobenzothiazoles
, 2020; 16(5): 530-540.Devidas G. Anuse*, Bapu R. Thorat, Sudhir Sawant, Ramesh S. Yamgar*, Hemchandra K. Chaudhari and Suraj N. Mali
DOI: 10.2174/1573409915666190902143648
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
Editorial
Parsimony principle and its proper use/ application in computer-assisted drug design and QSAR
, 2020; 16(1): 1-5.Subhash C. Basak and Marjan G. Vracko
DOI: 10.2174/157340991601200106122854
Research Article
De-novo drug design, molecular docking and in-silico molecular prediction of AChEI analogues through CADD approaches as anti-Alzheimer’s agents
, 2020; 16(1): 54-72.Surabhi Pandey* and B.K. Singh
DOI: 10.2174/1573409915666190301124210
Research Article
Computational studies of bis-2-oxoindoline succinohydrazides and their in vitro cytotoxicity
, 2020; 16(3): 270-280.Ravi Jarapula, Vishnu N. Badavath, Shriram Rekulapally and Sarangapani Manda*
DOI: 10.2174/1573409915666190117122139
Research Article
Extraction and identification of two flavonoids in phlomoides hyoscyamoides as an endemic plant of Iran: The role of quercetin in the activation of the glutathione peroxidase, the improvement of the hydroxyproline and protein oxidation in bile duct-ligated rats
, 2020; 16(5): 629-640.Amir H. Doustimotlagh, Salman Taheri, Mahboubeh Mansourian* and Mahdieh Eftekhari
DOI: 10.2174/1573409915666190903163335
Research Article
Molopt: A web server for drug design using bioisosteric transformation
, 2020; 16(4): 460-466.Jinwen Shan and Changge Ji*
DOI: 10.2174/1573409915666190704093400
Editorial
A generic computer-assisted four-pronged approach for the management of emerging global pathogens: Some comments on COVID-19
, 2020; 16(4): 351-353.Subhash C. Basak, Subhabrata Majumdar, Marjan Vracko, Ashesh Nandy and Apurba Bhattacharjee
DOI: 10.2174/1573409916999200316102548
Editor-in-Chief
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
University of Minnesota Duluth
Duluth, MN
Biography
Biography of Subhash C. Basak
Dr. Subhash C. Basak, a Senior Scientist and Adjunct Professor at the University of Minnesota Duluth, has more than 40 years of experience in mathematical /computational chemistry and computer aided drug design. His research areas include: Development of novel topological Indices; hierarchical quantitative structure-activity relationship (HiQSAR); quantitative molecular similarity analysis (QMSA); tailored QMSA; descriptors of DNA/ RNA sequences; mathematical proteomics; chirality indices of chemicals; differential QSAR; mathematical nanotoxicoproteomics. He holds a PhD in Biochemistry from the University of Calcutta. Dr. Basak has published 268 research articles and has co-edited two books: 1) Advances in Mathematical Chemistry and Applications (Elsevier & Bentham) and 2) Statistical and Machine Learning Approaches for Network Analysis (Wiley). He is a member of the International Academy of Mathematical Chemistry.
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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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