E-Pub Articles Ahead of Print ::: Current Computer-Aided Drug Design

ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)


Volume 13, 4 Issues, 2017


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Current Computer-Aided Drug Design

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Editor-in-Chief:
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA


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Articles Ahead of Print

Binding Site and Potency Prediction of Teixobactin and other Lipid II Ligands by Statistical Base Scoring of Conformational Space Maps


Claudiu N. Lungu and Mircea V. Diudea


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Quantitative Structure-Activity Relationships of Aquatic Narcosis: A Review


Chandana Adhikari and Bijay kumar Mishra


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Design, Synthesis, and Biological Evaluation of Vanillin Hydroxamic Acid Derivatives as Novel Peptide Deformylase Inhibitors


Jian Gao, Shengzhi Qiu, Li Liang, Zhixiang Hao, Qianqian Zhou, Fanfan Wang, Jie Mou and Qisi Lin


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A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking Analyses


Ashis Nandy, Kunal Roy and Achintya Saha


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Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformationalgenetic Algorithm Method


Sevtap Çağlar Yavuz, Nazmiye Sabancı and Emin Sarıpınar


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Molecular Docking Studies Applied to a Dataset of Cruzain Inhibitors


Edeildo Ferreira da Silva-Júnior , Paulo Henrique Barcellos França , Frederico Fávaro Ribeiro, Francisco Jaime Bezerra Mendonça-Júnior, Luciana Scotti , Marcus Tullius Scotti, Thiago Mendonça de Aquino and João Xavier de Araújo-Júnior


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Screening and Elucidation of Selected Natural Compounds for Anti-Alzheimer’s Potential Targeting BACE-1 Enzyme: A Case Computational Study


Syed Sayeed Ahmad, Salman Akhtar, Syed Mohd. Danish Rizvi, Mohammad A. Kamal, Usman Sayeed, Mohd. Kalim A. Khan, Mohd. Haris Siddiqui and Jamal M. Arif


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Hybrid Docking-QSAR Studies of 1, 4-dihydropyridine-3, 5-Dicarboxamides as Potential Antitubercular Agents


Yasaman Rasouli and Asghar Davood


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An Integrated Computational Approach for Plant-based Protein Tyrosine Phosphatase Non-receptor Type 1 Inhibitors


Shabana Bibi, and Katsumi Sakata


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CAPi: Computational Model for Apicoplast Inhibitors Prediction Against Plasmodium Parasite


Surabhi Dixit and Deepak Singla


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Insight Mechanism of the Selective Lanosterol Synthase Inhibitor: Molecular Modeling, Docking and Density Functional Theory Approaches


Subramanian Karunagaran, Chandrasekaran Meganathan, Rengarajan Kavitha, Muthu Vadivelu and Kuen Woo Lee


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Multitargeted Molecular Docking Study of Natural-Derived Alkaloids on Breast Cancer Pathway Components


Ramit Singla and Vikas Jaitak


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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


Edeildo F Silva-Júnior, Paulo H. Barcellos França, Lucindo José Quintas-Júnior, Francisco J. B. Mendonça-Junior, Luciana Scotti, Marcus T. Scotti, Thiago Mendonça de Aquino and João Xavier Araújo-Júnior


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Computer-Aided Structure Based Drug Design Approaches for the Discovery of new Anti-CHIKV Agents


Surender Singh Jadav, Barij Nayan Sinha, Rolf Hilgenfeld and Venkatesan Jayaprakash


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An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel- Type Indoles with Enhancing Cytotoxic Profiles


Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha and Shovanlal Gayen


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Latrunculin A – Insight into Specific Modifications to Design Novel Drugs to Overcome Resistance


Roopa Lalitha, Pravin Kumar and Sudheer Mohammed


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