ISSN (Print): 1573-4099 ISSN (Online): 1875-6697 Volume 17, 7 Issues, 2021
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ISSN (Print): 1573-4099 ISSN (Online): 1875-6697
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"The first issue of the journal Current Computer-Aided Drug Design is reflective of the course taken by the editor on the broadest possible coverage of the methodology development and applications of modern computational drug discovery. It is a must-read periodical for the professionals, educators and students interested in this important field."
Alexander Tropsha Univ. of North Carolina, USA
It was a pleasure to work with Bentham Science Publishers .
Dr. Noelly Madeleine (DSIMB, INSERM, U1134, Paris, F-75015, France and Université de la Réunion, UMR S 1134, Faculté des Sciences et Technologies, 15, avenue René Cassin, BP 7151, 97715 Saint Denis Messag Cedex 09, La Réunion, France) Has contributed: Identification of Inhibitors for the Lutheran Blood Group Glycoprotein – Laminin 511/521 Interaction by Molecular Modeling and Simulation Techniques
DTIP: A Comparative Analytical Framework for Chemogenomic Drugtarget Interactions Prediction
Volume: 17 Issue: 1 Pp: 2-21 Faraneh Haddadi and Mohammad Reza Kayvanpour* DOI: 10.2174/1573409916666191218124520
Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives
Volume: 16 Issue: 6 Pp: 802-813 Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari DOI: 10.2174/1573409915666191210125647
Searching for Potential Novel BCR-ABL Tyrosine Kinase Inhibitors Through G-QSAR and Docking Studies of Some Novel 2-Phenazinamine Derivatives
Volume: 16 Issue: 5 Pp: 501-510 Mayura Kale*, Gajanan Sonwane and Yogesh Choudhari DOI: 10.2174/1573409914666181022142934
Computational Drug Repurposing: Classification of the Research Opportunities and Challenges
Volume: 16 Issue: 4 Pp: 354-364 Seyedeh Shaghayegh Sadeghi and Mohammad Reza Keyvanpour* DOI: 10.2174/1573409915666190613113822
Structural Relationship Study of Octanol-Water Partition Coefficient of Some Sulfa Drugs Using GA-MLR and GA-ANN Methods
Volume: 16 Issue: 3 Pp: 207-221 Etratsadat Dadfar, Fatemeh Shafiei* and Tahereh M. Isfahani DOI: 10.2174/1573409915666190301124714
Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
Volume: 16 Issue: 2 Pp: 93-103 Piotr Kawczak*, Leszek Bober and Tomasz Bączek DOI: 10.2174/1573409915666190206212024
Computational Approaches as Rational Decision Support Systems for Discovering Next-Generation Antitubercular Agents: Mini-Review
Volume: 15 Issue: 5 Pp: 369-383 Rahul Balasaheb Aher and Kunal Roy* DOI: 10.2174/1573409915666190130153214
3D-QSAR and Molecular Docking Studies on Oxadiazole Substituted Benzimidazole Derivatives: Validation of Experimental Inhibitory Potencies Towards COX-2
Volume: 15 Issue: 4 Pp: 277-293 Vivek Asati, Piyush Ghode, Shalini Bajaj, Sanmati K. Jain and Sanjay K. Bharti* DOI: 10.2174/1573409914666181003153249
A Novel Amino Acid Sequence-based Computational Approach to Predicting Cell-penetrating Peptides
Volume: 15 Issue: 3 Pp: 206-211 Jihui Tang*, Jie Ning, Xiaoyan Liu, Baoming Wu and Rongfeng Hu* DOI: 10.2174/1573409914666180925100355
Broad Spectrum Peptide Vaccine Design Against Hepatitis C Virus
Volume: 15 Issue: 2 Pp: 120-135 Sherly Kurnia Dewi, Soegianto Ali and Vivitri Dewi Prasasty* DOI: 10.2174/1573409914666181003151222
Virtual Screening Meets Deep Learning
Volume: 15 Issue: 1 Pp: 6-28 Javier Pérez-Sianes, Horacio Pérez-Sánchez and Fernando Díaz* DOI: 10.2174/1573409914666181018141602
Synthesis, In silico Molecular Docking and Pharmacokinetic Studies, In vitro Antimycobacterial and Antimicrobial Studies of New Imidozolones Clubbed with Thiazolidinedione
Volume: 14 Issue: 4 Pp: 269-283 Imran. H. Khan, Navin B. Patel* and Vatsal M. Patel DOI: 10.2174/1573409914666180516113552
Computational Exploration of Natural Compounds to Target Cytosolic Phospholipase A 2 Protein: A Novel Therapeutic Target for Spinal Cord Injury
Volume: 14 Issue: 2 Pp: 117-124 Hongwu Fan, Shengqun Wang, Qiheng Zhao and Zhigang Qin* DOI: 10.2174/1573409914666180123100714
Binding Site and Potency Prediction of Teixobactin and other Lipid II Ligands by Statistical Base Scoring of Conformational Space Maps
Volume: 14 Issue: 1 Pp: 29-34 Claudiu N. Lungu and Mircea V. Diudea* DOI: 10.2174/1573409913666170927113813
Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1): An Important Therapeutic Target in Alzheimer's Disease
Volume: 13 Issue: 4 Pp: 266-274 Edeildo F. Silva-Junior, Paulo H. Barcellos Franca, Lucindo J. Quintans-Junior, Francisco J. B. Mendonca-Junior, Luciana Scotti, Marcus T. Scotti, Thiago M. de Aquino and Joao X. de Araujo-Junior* DOI: 10.2174/1573409913666170406150905
Adsorption of Antifungal Drugs Inside Pristine and Functionalized Fullerenes and Nanotubes: DFT Investigation
Volume: 13 Issue: 3 Pp: 177-185 Tomasz Pieńko*, Monika, Grudzień, Przemysław Paweł Taciak and Aleksander P. Mazurek DOI: 10.2174/1573409913666170303112858
Structure-Based Study of Natural Products with Anti-Schistosoma Activity
Volume: 13 Issue: 2 Pp: 91-100 Ibezim Akachukwu*, Olujide O. Olubiyi, Ata Kosisochukwu, Mbah C. John and Nwodo N. Justina DOI: 10.2174/1573409913666170119114859
Screening of Potential Lead Molecule as Novel MurE Inhibitor: Virtual Screening, Molecular Dynamics and In Vitro Studies
Volume: 13 Issue: 1 Pp: 8-21 Kunal Zaveri and Patnala Kiranmayi DOI: 10.2174/1573409912666161010142943
Mathematical Nanotoxicoproteomics: Quantitative Characterization of Effects of Multi-walled Carbon Nanotubes (MWCNT) and TiO2 Nanobelts (TiO2-NB) on Protein Expression Patterns in Human Intestinal Cells promotion: free to download
Volume: 12 Issue: 4 Pp: 259-264 Subhash C. Basak, Marjan Vracko and Frank A. Witzmann DOI: 10.2174/1573409912666160824145722
Genome Wide Analysis of Chlamydia pneumoniae for Candidate Vaccine Development promotion: free to download
Volume: 12 Issue: 3 Pp: 206-215 Ankita Sharma, Soundhara Rajan G, Rupsi Kharb and Sagarika Biswas DOI: 10.2174/1573409912666160526143114
Characterizing the Zika Virus Genome – A Bioinformatics Study promotion: free to download
Volume: 12 Issue: 2 Pp: 87-97 Ashesh Nandy, Sumanta Dey, Subhash C. Basak, Dorota Bielinska-Waz and Piotr Waz DOI: 10.2174/1573409912666160401115812
Using Deep Learning for Compound Selectivity Prediction promotion: free to download
Volume: 12 Issue: 1 Pp: 5-14 Ruisheng Zhang, Juan Li, Jingjing Lu, Rongjing Hu, Yongna Yuan and Zhili Zhao DOI: 10.2174/1573409912666160219113250
Prediction of Mutagenicity of Chemicals from Their Calculated Molecular Descriptors: A Case Study with Structurally Homogeneous versus Diverse Datasets promotion: free to download
Volume: 11 Issue: 2 Pp: 117-123 Subhash C. Basak and Subhabrata Majumdar DOI: 10.2174/1871524915666150722121322
Enhanced Action Potential Passage Through the Node of Ranvier of Myelinated Axons via Proton Hopping promotion: free to download
Volume: 11 Issue: 1 Pp: 5-7 Lemont Kier, Lowell Hall and Robert M. Tombes DOI: 10.2174/157340991101150722142734
Docking Modes of BB-3497 into the PDF Active Site – A Comparison of the Pure MM and QM/MM Based Docking Strategies promotion: free to download
Volume: 10 Issue: 4 Pp: 315-326 Tripti Kumari, Upasana Issar and Rita Kakkar DOI: 10.2174/157340991004150518145522
Public Databases of Plant Natural Products for Computational Drug Discovery promotion: free to download
Volume: 10 Issue: 3 Pp: 191-196 Chun-Wei Tung DOI: 10.2174/1573409910666140414145934
Mitotic Checkpoint Proteins Mad1 and Mad2 Structural and Functional Relationship with Implication in Genetic Diseases promotion: free to download
Volume: 10 Issue: 2 Pp: 168-181 Speranta Avram, Maria Mernea, Dan Florin Mihailescu, Corina Duda Seiman, Daniel Duda Seiman and Mihai Viorel Putz DOI: 10.2174/1573409910666140410124315
Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study promotion: free to download
Volume: 10 Issue: 1 Pp: 83-95 Maryam Farrokhnia and Iraj Nabipour DOI: 10.2174/1573409910666140408155615
Adapting Interrelated Two-Way Clustering Method for Quantitative Structure-Activity Relationship (QSAR) Modeling of Mutagenicity/Non- Mutagenicity of a Diverse Set of Chemicals promotion: free to download
Volume: 9 Issue: 4 Pp: 463-471 Subhabrata Majumdar, Subhash C. Basak and Gregory D. Grunwald DOI: 10.2174/15734099113096660045
How Computational Studies of Mosquito Repellents Contribute to the Control of Vector Borne Diseases promotion: free to download
Volume: 9 Issue: 3 Pp: 300-307 Przemyslaw Miszta, Subhash C. Basak, Ramanathan Natarajan and Wieslaw Nowak DOI: 10.2174/15734099113099990018
Molecular Determinants of the Bacterial Resistance to Fluoroquinolones: A Computational Study promotion: free to download
Volume: 9 Issue: 2 Pp: 281-288 Cecylia S. Lupala, Patricia Gomez-Gutierrez and Juan J. Perez DOI: 10.2174/15734099113099990004
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