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Endorsements

"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

Published Special Issues

Applications Of Docking And Molecular Dynamics In Drug Design


Current Computer-Aided Drug Design, Volume 9, Number 4
Guest Editor(s): Gang Yang, Zhiwei Yang

Authors' Comments
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)


Current Computer-Aided Drug Design

,

Volume 14

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Number 2



Editorial   Open Access





Research Article





Research Article





Research Article





Research Article





Research Article

Synthesis, Structural Characterization and Docking Studies of Sulfamoyl- Phenyl Acid Esters as Dipeptidyl Peptidase-IV Inhibitors

, 14(2): 142 - 151

Reema Abu Khalaf*, Dima Sabbah, Eveen Al-Shalabi, Iyad Al-Sheikh, Ghadeer Albadawi and Ghassan Abu Sheikha


DOI: 10.2174/1573409914666180308164013






Research Article

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

, 14(2): 152 - 159

Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat


DOI: 10.2174/1573409914666180112094156






Research Article





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


Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*


View Abstract View on PubMed


Computational Study of Imidazolylporphyrin Derivatives as a Radiopharmaceutical Ligand for Melanoma


Fransiska Kurniawan, Rahmana E. Kartasasmita, Naoki Yoshioka, Abdul Mutalib and Daryono H. Tjahjono*


View Abstract View on PubMed


2, 5-Disubstituted phthalimides: design, synthesis and anticonvulsant activity in scPTZ and MES models


Atefeh Saadabadi, Babak Kohen, Maryam Irandoust, Hamed Shafaroudi, Tara Mohammadpour, Mahdi Rezayat and Asghar Davood*


View Abstract


Salient aspects of PBP2A-inhibition; A QSAR Study


Adewale J. Ogunleye*, Gabriel O. Eniafe, Olumide K. Inyang, Benjamin Adewumi and Olaposi I. Omotuyi


View Abstract


Polypharmacology approach against migraine with aura and brain edema for the development of an efficient inhibitor and its analogues


Samawia Rizwan, Asim Mehmood, Irum Khalid, Muhammad Saad Khan, Qudsia Yousafi, Hayssam M. Ali, Mohamed S. Elshikh, Saima Kalsoom and Hamid Rashid*


View Abstract


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

, 2017; 13(4): 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

, 2017; 13(3): 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

, 2017; 13(2): 91 - 100

Ibezim Akachukwu*, Olujide O. Olubiyi, Ata Kosisochukwu, Mbah C. John and Nwodo N. Justina


DOI: 10.2174/1573409913666170119114859



Genome Wide Analysis of Chlamydia pneumoniae for Candidate Vaccine Development

, 2016; 12(3): 206 - 215

Ankita Sharma, Soundhara Rajan G, Rupsi Kharb and Sagarika Biswas


DOI: 10.2174/1573409912666160526143114



Characterizing the Zika Virus Genome – A Bioinformatics Study

, 2016; 12(2): 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

, 2016; 12(1): 5 - 14

Ruisheng Zhang, Juan Li, Jingjing Lu, Rongjing Hu, Yongna Yuan and Zhili Zhao


DOI: 10.2174/1573409912666160219113250



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