QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. (Q30358007)

20 June 2017

title

QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. (English)

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20 June 2017

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Mingyue Zheng

1

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20 June 2017

Kunqian Yu

2

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20 June 2017

Hong Liu

3

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20 June 2017

Xiaomin Luo

4

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20 June 2017

Kaixian Chen

5

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20 June 2017

Weiliang Zhu

6

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20 June 2017

Hualiang Jiang

7

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20 June 2017

publication date

1 September 2006

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Journal of Computer - Aided Molecular Design

20 June 2017

language of work or name

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20 June 2017

volume

20

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20 June 2017

issue

9

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20 June 2017

page(s)

549-566

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Discovery and development of GS 4104 (oseltamivir): an orally active influenza neuraminidase inhibitor

20 June 2017

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Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors

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Study on molecular mechanism and 3D-QSAR of influenza neuraminidase inhibitors

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Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase

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Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

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Structure−Activity Relationship Studies of Novel Carbocyclic Influenza Neuraminidase Inhibitors

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Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site

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Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA

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Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity

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Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino-4H-pyran-6-carboxamides

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Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of ...

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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

30 November 2025

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Minimization by Random Search Techniques

30 November 2025

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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

30 November 2025

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Potential impact of antiviral drug use during influenza pandemic

30 November 2025

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A new force field for molecular mechanical simulation of nucleic acids and proteins

30 November 2025

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

30 November 2025

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An all atom force field for simulations of proteins and nucleic acids

30 November 2025

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Validation of the general purpose Tripos 5.2 force field

30 November 2025

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10.1007/S10822-006-9080-0

30 November 2025

Identifiers

DOI

1 reference

journals/jcamd/ZhengYLLCZJ06

20 June 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference