Current Computer-Aided Drug Design

Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA

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Editorial (Recent Developments and Future Directions at Current Computer Aided Drug Design) free to download

Volume:9   Issue:1
Pp: 1-1
Subhash C. Basak
DOI: 10.2174/1573409911309010001

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Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly promotion: free to download

Volume:9   Issue:1
Pp: 2-14
Seema Bag, Rekha Tulsan, Abha Sood, Silpi Datta and Marianna Torok
DOI: 10.2174/1573409911309010002

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First-Principles Modeling of Biological Systems and Structure-Based Drug-Design promotion: free to download

Volume:9   Issue:1
Pp: 15-34
Jacopo Sgrignani and Alessandra Magistrato
DOI: 10.2174/1573409911309010003

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Cycloxygenase-2 (COX-2) - A Potential Target for Screening of Small Molecules as Radiation Countermeasure Agents: An In Silico Study promotion: free to download

Volume:9   Issue:1
Pp: 35-45
Jayadev Joshi, Tapan K. Barik, Nitisha Shrivastava, Manali Dimri, Subhajit Ghosh, Rahul S. Mandal, Srinivasan Ramachandran and Indracanti P. Kumar
DOI: 10.2174/1573409911309010004

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Efficacy Prediction of Jamu Formulations by PLS Modeling promotion: free to download

Volume:9   Issue:1
Pp: 46-59
Farit M. Afendi, Latifah K. Darusman, Aki Hirai Morita, Md. Altaf-Ul-Amin, Hiroki Takahashi, Kensuke Nakamura, Ken Tanaka and Shigehiko Kanaya
DOI: 10.2174/1573409911309010005

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Structure-Based Development of Antagonists for Chemokine Receptor CXCR4 promotion: free to download

Volume:9   Issue:1
Pp: 60-75
Chongqian Zhang, Tingjun Hou, Zhiwei Feng and Youyong Li
DOI: 10.2174/1573409911309010006

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Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System promotion: free to download

Volume:9   Issue:1
Pp: 76-82
P.K. Krishnan Namboori, U.P. Ranjini, Asha A. Manakadan, Anila Jose, K.S. Silvipriya, N. Belzik and O.M. Deepak
DOI: 10.2174/1573409911309010007

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Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software promotion: free to download

Volume:9   Issue:1
Pp: 83-94
Tania Pencheva, Dessislava Jereva, Maria A. Miteva and Ilza Pajeva
DOI: 10.2174/1573409911309010008

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QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents promotion: free to download

Volume:9   Issue:1
Pp: 95-107
Feng Luan, Xuan Xu, Maria Natalia Dias Soeiro Cordeiro, Huitao Liu and Xiaoyun Zhang
DOI: 10.2174/1573409911309010009

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Biomedical Data Integration in Computational Drug Design and Bioinformatics promotion: free to download

Volume:9   Issue:1
Pp: 108-117
Jose A. Seoane, Vanessa Aguiar-Pulido, Cristian R. Munteanu, Daniel Rivero, Juan R. Rabunal, Julian Dorado and Alejandro Pazos
DOI: 10.2174/15734099112089990011

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Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines promotion: free to download

Volume:9   Issue:1
Pp: 118-129
Pathik S. Brahmkshatriya, Petr Dobes, Jindrich Fanfrlik, Jan Rezac, Kamil Paruch, Agnieszka Bronowska, Martin Lepsík and Pavel Hobza
DOI: 10.2174/1573409911309010011

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Artificial Neural Networks Based on CODES Descriptors in Pharmacology: Identification of Novel Trypanocidal Drugs against Chagas Disease promotion: free to download

Volume:9   Issue:1
Pp: 130-140
Angela Guerra, Pedro Gonzalez-Naranjo, Nuria E. Campillo, Hugo Cerecetto, Mercedes Gonzalez and Juan A. Paez
DOI: 10.2174/1573409911309010012

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QSAR Study of Curcumine Derivatives as HIV-1 Integrase Inhibitors promotion: free to download

Volume:9   Issue:1
Pp: 141-150
Pawan Gupta, Anju Sharma, Prabha Garg and Nilanjan Roy
DOI: 10.2174/1573409911309010013

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