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

2010 ◽  
Vol 16 (12) ◽  
pp. 1809-1818 ◽  
Author(s):  
Jiaying Sun ◽  
Shaoxi Cai ◽  
Hu Mei ◽  
Jian Li ◽  
Ning Yan ◽  
...  
Keyword(s):  
Influenza Virus ◽  
3D Qsar ◽  
Qsar Study ◽  
Influenza Virus Neuraminidase

A 3D-QSAR Study on Betulinic Acid Derivatives as Anti-Tumor Agents and the Synthesis of Novel Derivatives for Modeling Validation

2017 ◽  
Vol 17 (4) ◽  
pp. 566-575 ◽  
Author(s):  
Weimin Ding ◽  
Sheng Zhang ◽  
Meixuan Zhu ◽  
Shaoming Wang ◽  
Tao Xu ◽  
...  
Keyword(s):  
Betulinic Acid ◽  
3D Qsar ◽  
Qsar Study

3D-QSAR Study on Apicidin Inhibit Histone Deacetylase

2010 ◽  
Vol 21 (12) ◽  
pp. 1596-1607 ◽  
Author(s):  
Hai-Feng Chen ◽  
Jiu-Hong Kang ◽  
Qiang Li ◽  
Bao-Shan Zeng ◽  
Xiao-Jun Yao ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
3D Qsar ◽  
Qsar Study

3D-QSAR study of adamantyl N-benzylbenzamides as melanogenesis inhibitors

2014 ◽  
Vol 24 (2) ◽  
pp. 667-673 ◽  
Author(s):  
Yong Deog Hong ◽  
Heung Soo Baek ◽  
Haelim Cho ◽  
Soo Mi Ahn ◽  
Ho Sik Rho ◽  
...  
Keyword(s):  
3D Qsar ◽  
Qsar Study

Conformational Analysis and 3D QSAR Study on Novel Partial Agonists of 5-HT3Receptors

1996 ◽  
Vol 15 (5) ◽  
pp. 373-381 ◽  
Author(s):  
R. Bureau ◽  
J. C. Lancelot ◽  
H. Prunier ◽  
S. Rault
Keyword(s):  
Conformational Analysis ◽  
3D Qsar ◽  
Qsar Study ◽  
Partial Agonists

Influenza Virus Neuraminidase Inhibitory Activity of Phlorotannins from the Edible Brown AlgaEcklonia cava

2011 ◽  
Vol 59 (12) ◽  
pp. 6467-6473 ◽  
Author(s):  
Young Bae Ryu ◽  
Hyung Jae Jeong ◽  
So Young Yoon ◽  
Ji-Young Park ◽  
Young Min Kim ◽  
...  
Keyword(s):  
Influenza Virus ◽  
Inhibitory Activity ◽  
Influenza Virus Neuraminidase

Elucidating structural basis of benzofuran pyrrolidine pyrazole derivatives for enhancing potency against both the InhA enzyme and intact M. tuberculosis cells: a combined MD simulations and 3D-QSAR study

RSC Advances ◽  
2015 ◽  
Vol 5 (65) ◽  
pp. 52926-52937 ◽  
Author(s):  
Pharit Kamsri ◽  
Auradee Punkvang ◽  
Supa Hannongbua ◽  
Patchreenart Saparpakorn ◽  
Pornpan Pungpo
Keyword(s):  
3D Qsar ◽  
Md Simulations ◽  
Structural Basis ◽  
Pyrazole Derivatives ◽  
Qsar Study ◽  
Structural Concept

The structural concept for enhancing both IC50 and MIC90 activities summarized from MD simulations and CoMSIA results.

Difluorosialic acids, potent novel influenza virus neuraminidase inhibitors, induce fewer drug resistance-associated neuraminidase mutations than does oseltamivir

2015 ◽  
Vol 210 ◽  
pp. 126-132 ◽  
Author(s):  
S.-H. Sheldon Tai ◽  
Olga Agafitei ◽  
Zhizeng Gao ◽  
Richard Liggins ◽  
Martin Petric ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Influenza Virus ◽  
Neuraminidase Inhibitors ◽  
Influenza Virus Neuraminidase
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