Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Most Cited Article

In silico Molecular Modelling of Selected Natural Ligands and their Binding Features with Estrogen Receptor Alpha

Volume:15   Issue:1
Pp: 89-96
V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky
DOI: 10.2174/1573409914666181008165356

In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative

Volume:15   Issue:5
Pp: 445-455
Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale
DOI: 10.2174/1573409915666190206142756

Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Against HIV using SMILES-based Descriptors

Volume:14   Issue:2
Pp: 152-159
Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat
DOI: 10.2174/1573409914666180112094156

Binding Site and Potency Prediction of Teixobactin and other Lipid II Ligands by Statistical Base Scoring of Conformational Space Maps promotion: free to download

Volume:14   Issue:1
Pp: 29-34
Claudiu N. Lungu and Mircea V. Diudea*
DOI: 10.2174/1573409913666170927113813

Synthesis, Antibacterial Activity and Molecular Docking of Phospholidinones in Stigmastane Series

Volume:15   Issue:3
Pp: 259-264
Azhar U. Khan, Mahboob Alam*, Soonheum Park, Poonam Dwivedi, Sunil K. Sharma and Sapna Jain
DOI: 10.2174/1573409914666181029122448

2D & 3D-QSAR Study on Novel Piperidine and Piperazine Derivatives as Acetylcholinesterase Enzyme Inhibitors

Volume:14   Issue:4
Pp: 391-397
Maryam Nazari, Sayyed Abbas Tabatabai and Elham Rezaee*
DOI: 10.2174/1573409914666180726092800

Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Volume:14   Issue:3
Pp: 246-252
Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*
DOI: 10.2174/1573409914666180228111433

Finding Novel Anti-carcinomas Compounds by Targeting SFRP4 Through Molecular Modeling, Docking and Dynamic Simulation Studies

Volume:14   Issue:2
Pp: 160-173
M. Hassan, M. Azhar, Q. Abbas, H. Raza, A.A. Moustafa, S. Shahzadi, Z. Ashraf* and S.Y. Seo*
DOI: 10.2174/1573409914666180112100122

Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review promotion: free to download

Volume:14   Issue:1
Pp: 7-28
Chandana Adhikari and Bijay kumar Mishra*
DOI: 10.2174/1573409913666170711130304

Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors promotion: free to download

Volume:14   Issue:1
Pp: 68-78
Edeildo Ferreira da Silva-Junior, Paulo Henrique Barcellos Franca, Frederico Favaro Ribeiro, Francisco Jaime Bezerra Mendonca-Junior, Luciana Scotti*, Marcus Tullius Scotti, Thiago Mendonca de Aquino and Joao Xavier de Araujo-Junior
DOI: 10.2174/1573409913666170519112758

In Silico Computations of Selective Phytochemicals as Potential Inhibitors Against Major Biological Targets of Diabetes Mellitus

Volume:15   Issue:5
Pp: 401-408
Ammara Akhtar, Anam Amir, Waqar Hussain, Abdul Ghaffar and Nouman Rasool*
DOI: 10.2174/1573409915666190130164923

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

Indexing Natural Products for their Antifungal Activity by Filters-based Approach: Disclosure of Discriminative Properties

Volume:15   Issue:3
Pp: 235-242
Mahmoud Rayan, Ziyad Abdallah, Saleh Abu-Lafi, Mahmud Masalha and Anwar Rayan*
DOI: 10.2174/1573409914666181017100532

Editor’s Perspective: Molecular Descriptor Landscape in the Twenty First Century and its Proper Use for Computer-Aided Drug Design promotion: free to download

Volume:15   Issue:1
Pp: 1-2
Subhash C. Basak
DOI: 10.2174/157340991501181214103556

Salient Aspects of PBP2A-inhibition; A QSAR Study

Volume:14   Issue:4
Pp: 363-369
Adewale J. Ogunleye*, Gabriel O. Eniafe, Olumide K. Inyang, Benjamin Adewumi and Olaposi I. Omotuyi
DOI: 10.2174/1573409914666180516114314

Development of QSPR Strategy for the Solubility Prediction

Volume:14   Issue:4
Pp: 302-309
Nupur S. Munjal, Manu Sharma and Tiratha Raj Singh*
DOI: 10.2174/1573409914666180713114954

Computational Study of Imidazolylporphyrin Derivatives as a Radiopharmaceutical Ligand for Melanoma

Volume:14   Issue:3
Pp: 191-199
Fransiska Kurniawan*, Rahmana E. Kartasasmita, Naoki Yoshioka, Abdul Mutalib and Daryono H. Tjahjono*
DOI: 10.2174/1573409914666180417115248

Exploring the Influence of Mutation on Transthyretin Aggregation in Heart Disease

Volume:14   Issue:2
Pp: 125-130
Ankita Sharma, Monu and Sagarika Biswas*
DOI: 10.2174/1573409914666180321104749