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
In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research
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
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
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
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
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
Molopt: A web server for drug design using bioisosteric transformation
, 2020; 16(4): 460-466.Jinwen Shan and Changge Ji*
DOI: 10.2174/1573409915666190704093400
Research Article
In silico molecular docking study to search new SGLT2 inhibitor based on dioxabicyclo[3.2.1] octane scaffold
, 2020; 16(2): 145-154.Shubham Kumar, Gopal L. Khatik and Amit Mittal*
DOI: 10.2174/1573409914666181019165821
Review Article
The monte carlo method as a tool to build up predictive qspr/qsar
, 2020; 16(3): 197-206.Andrey A. Toropov* and Alla P. Toropova
DOI: 10.2174/1573409915666190328123112
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
Evaluation of chemotherapeutic activity of the selected bases’ analogues of nucleic acids supported by ab initio various quantum chemical calculations
, 2020; 16(2): 93-103.Piotr Kawczak*, Leszek Bober and Tomasz Bączek
DOI: 10.2174/1573409915666190206212024
Research Article
Characterization of the trypanosoma brucei pteridine reductase active-site using computational docking and virtual screening techniques
, 2020; 16(5): 583-598.Hina Shamshad, Abdul Hafiz, Ismail I. Althagafi, Maria Saeed and Agha Zeeshan Mirza*
DOI: 10.2174/1573409915666190827163327
Research Article
In silico insights on il-6: A potential target for multicentric castleman disease
, 2020; 16(5): 641-653.Abhishek Aher, Trishang Udhwani, Ravina Khandelwal, Aakanksha Limaye, Tajamul Hussain, Anuraj Nayarisseri* and Sanjeev Kumar Singh*
DOI: 10.2174/1573409915666190902142524
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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