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
In silico computations of selective phytochemicals as potential inhibitors against major biological targets of diabetes mellitus
, 2019; 15(5): 401-408.Ammara Akhtar, Anam Amir, Waqar Hussain, Abdul Ghaffar and Nouman Rasool*
DOI: 10.2174/1573409915666190130164923
Research Article
In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative
, 2019; 15(5): 445-455.Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale
DOI: 10.2174/1573409915666190206142756
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
Review Article
Virtual screening meets deep learning
, 2019; 15(1): 6-28.Javier Pérez-Sianes , Horacio Pérez-Sánchez and Fernando Díaz*
DOI: 10.2174/1573409914666181018141602
Vaxijen dataset of bacterial immunogens: An update
, 2019; 15(5): 398-400.Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*
DOI: 10.2174/1573409915666190318121838
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
In silico molecular modelling of selected natural ligands and their binding features with estrogen receptor alpha
, 2019; 15(1): 89-96.V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky
DOI: 10.2174/1573409914666181008165356
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, anti-inflammatory activity and docking studies of some newer 1,3-thiazolidine-2,4-dione derivatives as dual inhibitors of PDE4 and PDE7
, 2019; 15(3): 225-234.Himanshu Sharma, Viney Lather*, Ajmer Singh Grewal and Deepti Pandita
DOI: 10.2174/1573409914666181003151528
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
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
Dehydroabietylamine, a diterpene from carthamus tinctorious l. Showing antibacterial and anthelmintic effects with computational evidence
, 2020; 16(3): 231-237.Aditya R. SJ, Ramesh CK, Raghavendra S and Paramesha M*
DOI: 10.2174/1573409915666190301142811
Research Article
Indexing natural products for their antifungal activity by filters-based approach: Disclosure of discriminative properties
, 2019; 15(3): 235-242.Mahmoud Rayan*, Ziyad Abdallah, Saleh Abu-Lafi, Mahmud Masalha and Anwar Rayan*
DOI: 10.2174/1573409914666181017100532
Research Article
Molecular docking analysis of caspase-3 activators as potential anticancer agents
, 2019; 15(1): 55-66.Sushil K. Kashaw*, Shivangi Agarwal, Mitali Mishra, Samaresh Sau and Arun K. Iyer
DOI: 10.2174/1573409914666181015150731
Research Article
Synthesis, in silico and in vitro analysis of hydrazones as potential antituberculosis agents
, 2021; 17(2): 294-306.Bapu R. Thorat*, Suraj N. Mali*, Deepa Rani and Ramesh S. Yamgar
DOI: 10.2174/1573409916666200302120942
Editor-in-Chief
Subhash C. Basak
Department of Chemistry & Biochemistry
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
Department of Chemistry & Biochemistry
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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