Literature DB >> 16213733

A QSAR study on influenza neuraminidase inhibitors.

Rajeshwar P Verma1, Corwin Hansch.   

Abstract

Influenza is a major respiratory infection associated with significant morbidity in the general population and mortality in elderly and high-risk patients. It is an RNA virus that contains two major surface glycoproteins, neuraminidase and hemagglutinin. These proteins are essential for infection. Neuraminidase has been found to be a potential target to control influenza virus. In this paper, we have developed 17 quantitative structure-activity relationships (QSAR) for different sets of compounds to understand chemical-biological interactions governing their activities toward influenza neuraminidase.

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Year:  2005        PMID: 16213733     DOI: 10.1016/j.bmc.2005.09.016

Source DB:  PubMed          Journal:  Bioorg Med Chem        ISSN: 0968-0896            Impact factor:   3.641


  7 in total

1.  Docking and 3D QSAR study of thiourea analogs as potent inhibitors of influenza virus neuraminidase.

Authors:  Jiaying Sun; Shaoxi Cai; Hu Mei; Jian Li; Ning Yan; Yuanqiang Wang
Journal:  J Mol Model       Date:  2010-03-07       Impact factor: 1.810

2.  QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.

Authors:  Mingyue Zheng; Kunqian Yu; Hong Liu; Xiaomin Luo; Kaixian Chen; Weiliang Zhu; Hualiang Jiang
Journal:  J Comput Aided Mol Des       Date:  2006-11-11       Impact factor: 3.686

3.  Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition.

Authors:  Paulina M Dominiak; Anatoliy Volkov; Adam P Dominiak; Katarzyna N Jarzembska; Philip Coppens
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-04-18

4.  TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features.

Authors:  Daniel L Clinciu; Yen-Fu Chen; Cheng-Neng Ko; Chi-Chun Lo; Jinn-Moon Yang
Journal:  BMC Genomics       Date:  2010-12-02       Impact factor: 3.969

Review 5.  Compounds with anti-influenza activity: present and future of strategies for the optimal treatment and management of influenza. Part II: Future compounds against influenza virus.

Authors:  R Gasparini; D Amicizia; P L Lai; N L Bragazzi; D Panatto
Journal:  J Prev Med Hyg       Date:  2014-12

6.  Exploring flexibility, intermolecular interactions and ADMET profiles of anti-influenza agent isorhapontigenin: A quantum chemical and molecular docking study.

Authors:  Sathya Bangaru; Govindammal Madhu; M Srinivasan; Prasath Manivannan
Journal:  Heliyon       Date:  2022-08-12

7.  Structure Optimization of Neuraminidase Inhibitors as Potential Anti-Influenza (H1N1Inhibitors) Agents Using QSAR and Molecular Docking Studies.

Authors:  Poonam Inamdar; Shashikant Bhandari; Bhagyashri Sonawane; Asha Hole; Chintamani Jadhav
Journal:  Iran J Pharm Res       Date:  2014       Impact factor: 1.696

  7 in total

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