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Current Computer - Aided Drug Design
Published by Bentham Science Publishers Ltd..
ISSN 1573-4099
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Aims & scope
Current Computer - Aided Drug Design publishes peer-reviewed research. Manuscripts pass a technical check and a scope check by the handling editor before going to independent reviewers.
02
Recently published
Investigation on Electronic Tuning and Molecular Recognition of Novel Amide Derivatives as Potent Anticancer Agents
DOI 10.2174/0115734099521450261015163007 Ranjini Jenifer H., Balamurali M.M. · 2026
Symbolic Fragment Weighting for Substructural Analysis: Genetic Programming vs Genetic Algorithm on ChEMBL
DOI 10.2174/0115734099497745260921104114 Mohd Isrul Esa, Nor Samsiah Sani, Salwani Abdullah · 2026
Mechanistic Investigation of Linggan Wuwei Jiangxin Decoction for Asthma: Component Analysis, Network Pharmacology, and Experimental
Validation
DOI 10.2174/0115734099484008261009095924 Yan Hong, TianCi Fang, YanTong Yu, XueQin Wang, FangFang Sun, Yanquan Han · 2026
In silico and Network Pharmacology Identification of Acacia senegal Phytochemicals as Potential α-Amylase Inhibitors
DOI 10.2174/0115734099489718260910060820 Abdulkadir Abdu, Hossamaldeen Bakrey, Hind A. Rikabi, Amani Ahmed Osman Ali, Israa Abdelrahim, Eman M. Abdulkareem, Lina Eltaib · 2026
NNGeoGVS: A Unified Equivariant Graph Neural Network Framework for Integrated Structure and Ligand-based Virtual Screening
DOI 10.2174/0115734099527526261007151436 Suresh Chand Yadam, Phani Kumar Singamsetty · 2026
Computational Discovery of Bioactive Compounds Targeting Conserved MSCRAMMs Adhesion Proteins to Disrupt Staphylococcus aureus Host
Colonization
DOI 10.2174/0115734099494916260910051136 Irfa Asghar, Usama Bin Asghar, Syed Basit Shah, Samavia Akhter, Asim Ali, Shakir Ullah, Muhammad Tanveer Alam, Faryal Khan, Sajid Ali, Muhammad Ali · 2026
Revolution of Computer-assisted Drug Design: The Transformative Role of Artificial Intelligence
DOI 10.2174/0115734099491620260915174557 Uma Rawat, Anita Singh · 2026
Integrated LC-MS and Computer-aided Drug Design Evaluation of Sida
cordifolia Herbal Microemulsion Targeting Inflammatory Enzymes through
Molecular Docking, MM-GBSA, DFT, and ADMET Profiling
DOI 10.2174/0115734099498434260828063631 Kalyani Asgaonkar, Amruta Avalaskar, Kalirajan Rajagopal, Krishna Shevate, Shital Patil, Trupti Chitre, Gajanan Rathod, Pranaya Nawale, Varun Hambir, Prachi Divate · 2026
Identification of Novel Tubulin Dimer Inhibitors for Pancreatic Cancer Using an Integrated Computational Approach
DOI 10.2174/0115734099490104260914114511 Hemantha Mani Kumar Chakravarthi Chanda, Sudheer Kumar Katari · 2026
A Mechanistic In-silico Approach for Design and Evaluation of Novel (1H-indol-3-yl) Acetic Acid Analogues as Dual-action Anti-retroviral and
Anti-bacterial Agents: A Foresight into Rational Drug Design Strategies
DOI 10.2174/0115734099492629260908062205 Sayan Bhattacharjee, Rahul Ghosh, Biplab Debnath, Swastika Ganguly · 2026
Harnessing the Power of Large Language Models for Drug Discovery: A
Systematic Review of Current Applications and Future Directions
DOI 10.2174/0115734099432517260829135754 Pranay Wal, Manmohan Shukla, kritika Sachan, Ankita Wal, Hanish Singh Jayasingh Chellammal, Mohit Tiwari, Amin Gasmi · 2026
Repurposing Lenalidomide for Refractory Behcet’s Disease: Systematic Review and Computational Pharmacology Insights for Rare Disease Therapy
DOI 10.2174/0115734099491715260903114308 Chengzhen Lyu, Shuai Li, Kun He, Ziqi Guo, Rou Tang, Wangyang Chen, Weiyang Zheng, Dong Wu · 2026
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