Current Computer-Aided Drug Design
Volume 18, 7 Issues, 2022
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
Contents
Current Computer-Aided Drug Design , Volume 16 - Number 6
Research Article
Modeling Physico-Chemical Properties of Quinolone Derivatives Using GA-MLR as a Computational Study
, 16(6): 667 - 681Meysam Shirmohammadi, Esmat Mohammadinasab* and Zakiyeh Bayat
DOI: 10.2174/1573409915666191212152439
Research Article
2D- and 3D-QSAR Modeling of Imidazole-Based Glutaminyl Cyclase Inhibitors
, 16(6): 682 - 697Omar Husham Ahmed Al-Attraqchi and Katharigatta N. Venugopala*
DOI: 10.2174/1573409915666190918150136
Research Article
Interactions of Flavone and Steroid from A. subintegra as Potential Inhibitors for Porcine Pancreatic Lipase
, 16(6): 698 - 706Mastura Ibrahim, Saripah Salbiah Syed Abdul Azziz*, Chee Fah Wong*, Yuhanis Mhd Bakri and Fauziah Abdullah
DOI: 10.2174/1573409915666191015112320
Research Article
Research Article
Development of 'S', 'N' Heterocycles as Antimycobacterials Targeting Fatty Acid Biosynthesis
, 16(6): 718 - 724Lalita K. Dahiwade*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P. Dhavale and Harinath N. More
DOI: 10.2174/1573409915666191017150843
Research Article
Identification of Key Features of CNS Drugs Based on SVM and Greedy Algorithm
, 16(6): 725 - 733Ruilin Zhang and Yanrui Ding*
DOI: 10.2174/1573409915666191212095340
Research Article
Multi-Targeted Design and Development of Dihydroisoquinolines as Potent Antimalarials
, 16(6): 734 - 740Raviraj V. Mule*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P. Dhavale and Manish S. Bhatia
DOI: 10.2174/1573409915666191017145833
Research Article
Virtual Screening-Based Discovery of Potent Hypoglycemic Agents: In Silico, Chemical Synthesis and Biological Study
, 16(6): 741 - 756Mohammed A. Khedr *, Omar M. M. Mohafez and Ibrahim A. Al-Haider
DOI: 10.2174/1573409915666191018121558
Research Article
Design, Synthesis and In vitro Biological Activity of Some New 1,3- thiazolidine-4-one Derivatives as Chemotherapeutic Agents using Virtual Screening Strategies
, 16(6): 757 - 771Pragya Nayak* and Monica Kachroo
DOI: 10.2174/1573409916666200116102359
Research Article
Research Article
A New Class of Coumate Benzimidazole Hybrids as BRCA 1 Mimetics Through Unconventional Binding Mode; Synthesis and Preliminary Cytotoxicity Screening
, 16(6): 786 - 801Selvaraj Jubie*, Shyam Sundar, Neetu Yadav, Podila Naresh, Ashish Wadhwani and Jawahar Natarajan
DOI: 10.2174/1573409916666191231102046
Research Article
Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives
, 16(6): 802 - 813Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari
DOI: 10.2174/1573409915666191210125647
Research Article
Combined High Throughput Screening with QSAR Analysis Unravelling Potential Glyoxalase-I Inhibitors
, 16(6): 814 - 832Mahmoud A. Al-Sha’er*, Qosay A. Al-Balas and Mohammad A. Hassan
DOI: 10.2174/1573409916666200117100326
Research Article
Acknowledgement
Editor-in-Chief
Subhash C. Basak
Department of Chemistry & Biochemistry
Center for Water and the Environment, Natural Resources Research Institute
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
Department of Chemistry & Biochemistry
Center for Water and the Environment, Natural Resources Research Institute
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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