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
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
Modeling Physico-Chemical Properties of Quinolone Derivatives Using GA-MLR as a Computational Study
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
2D- and 3D-QSAR Modeling of Imidazole-Based Glutaminyl Cyclase Inhibitors
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
Interactions of Flavone and Steroid from A. subintegra as Potential Inhibitors for Porcine Pancreatic Lipase
Research Article
In silico Designing of Novel Inhibitors for Triple Inhibition of Aldose Reductase, Aldose Reductase Like Protein 1, and Aldehyde Reductase
, 16(6): 707 - 717Arpita Devi*
DOI: 10.2174/1573409915666191015111200
In silico Designing of Novel Inhibitors for Triple Inhibition of Aldose Reductase, Aldose Reductase Like Protein 1, and Aldehyde Reductase
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
Development of 'S', 'N' Heterocycles as Antimycobacterials Targeting Fatty Acid Biosynthesis
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
Identification of Key Features of CNS Drugs Based on SVM and Greedy Algorithm
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
Multi-Targeted Design and Development of Dihydroisoquinolines as Potent Antimalarials
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
Virtual Screening-Based Discovery of Potent Hypoglycemic Agents: In Silico, Chemical Synthesis and Biological Study
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
Design, Synthesis and In vitro Biological Activity of Some New 1,3- thiazolidine-4-one Derivatives as Chemotherapeutic Agents using Virtual Screening Strategies
Research Article Open Access
Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis Treatment
, 16(6): 772 - 785Meshari Alazmi*
DOI: 10.2174/1573409915666191003124947
Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis Treatment
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
A New Class of Coumate Benzimidazole Hybrids as BRCA 1 Mimetics Through Unconventional Binding Mode; Synthesis and Preliminary Cytotoxicity Screening
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
Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives
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
Combined High Throughput Screening with QSAR Analysis Unravelling Potential Glyoxalase-I Inhibitors
Research Article
Computer-Aided Detection System for the Classification of Non-Small Cell Lung Lesions using SVM
, 16(6): 833 - 840Shruti Jain*
DOI: 10.2174/1573409916666200102122021
Computer-Aided Detection System for the Classification of Non-Small Cell Lung Lesions using SVM
Acknowledgement Open Access
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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