Synthesis, antitubercular evaluation and 3D-QSAR study of N-phenyl-3-(4-fluorophenyl)-4-substituted pyrazole derivatives

2012 ◽  
Vol 22 (1) ◽  
pp. 666-678 ◽  
Author(s):  
R.C. Khunt ◽  
V.M. Khedkar ◽  
R.S. Chawda ◽  
N.A. Chauhan ◽  
A.R. Parikh ◽  
...  
Keyword(s):  
3D Qsar ◽  
Pyrazole Derivatives ◽  
Qsar Study

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.

ChemInform Abstract: Synthesis, Antitubercular Evaluation and 3D-QSAR Study of N-Phenyl-3-(4-fluorophenyl)-4-substituted Pyrazole Derivatives.

ChemInform ◽  
2012 ◽  
Vol 43 (22) ◽  
pp. no-no
Author(s):  
R. C. Khunt ◽  
V. M. Khedkar ◽  
R. S. Chawda ◽  
N. A. Chauhan ◽  
A. R. Parikh ◽  
...  
Keyword(s):  
3D Qsar ◽  
Pyrazole Derivatives ◽  
Qsar Study

Novel 5-chloro-pyrazole derivatives containing a phenylhydrazone moiety as potent antifungal agents: synthesis, crystal structure, biological evaluation and a 3D-QSAR study

2019 ◽  
Vol 43 (16) ◽  
pp. 6350-6360 ◽  
Author(s):  
Jian Jiao ◽  
An Wang ◽  
Min Chen ◽  
Meng-Qi Wang ◽  
Chun-Long Yang
Keyword(s):  
Crystal Structure ◽  
Structural Optimization ◽  
Fungicidal Activity ◽  
Antifungal Agents ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Pyrazole Derivatives ◽  
Qsar Study

Novel 5-chloro-pyrazole derivatives containing a phenylhydrazone moiety were designed and synthesized. Some of the target compounds showed potent fungicidal activity. A 3D-QSAR study provides information for structural optimization.

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

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
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