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.

Novel pyrrolidine-2,4-dione derivatives containing pharmacophores of both hydrazine and diphenyl ether as potential antifungal agents: design, synthesis, biological evaluation, and 3D-QSAR study

2020 ◽  
Vol 44 (46) ◽  
pp. 20071-20082
Author(s):  
Hao-Ran Hu ◽  
An Wang ◽  
Ling-Ling Qiu ◽  
Xiao-Bin Wang ◽  
Min Chen ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Antifungal Activity ◽  
Antifungal Agents ◽  
Diphenyl Ether ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Study ◽  
Design Synthesis ◽  
Scanning Electron

Novel pyrrolidine-2,4-dione derivatives were designed based on natural products. Some synthesized compounds showed excellent antifungal activity. Scanning electron microscopy was used to observe mycelium morphology. 3D-QSAR was also studied.

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.

Synthesis and Biological Evaluation of Organoruthenium Complexes with Azole Antifungal Agents. First Crystal Structure of a Tioconazole Metal Complex

2014 ◽  
Vol 33 (7) ◽  
pp. 1594-1601 ◽  
Author(s):  
Jakob Kljun ◽  
Antony James Scott ◽  
Tea Lanišnik Rižner ◽  
Jennifer Keiser ◽  
Iztok Turel
Keyword(s):  
Crystal Structure ◽  
Metal Complex ◽  
Antifungal Agents ◽  
Biological Evaluation ◽  
Synthesis And Biological Evaluation

Synthesis, biological evaluation, 3D-QSAR studies of novel aryl-2H-pyrazole derivatives as telomerase inhibitors

2013 ◽  
Vol 23 (4) ◽  
pp. 1091-1095 ◽  
Author(s):  
Yin Luo ◽  
Shuai Zhang ◽  
Ke-Ming Qiu ◽  
Zhi-Jun Liu ◽  
Yu-Shun Yang ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Pyrazole Derivatives ◽  
Qsar Studies ◽  
Telomerase Inhibitors

Synthesis, biological evaluation and 3D QSAR study of 2,4-disubstituted quinolines as anti-tuberculosis agents

2015 ◽  
Vol 93 ◽  
pp. 511-522 ◽  
Author(s):  
Sanjay R. Patel ◽  
Rahul Gangwal ◽  
Abhay T. Sangamwar ◽  
Rahul Jain
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Study

A new series of 2-phenol-4-aryl-6-chlorophenyl pyridine derivatives as dual topoisomerase I/II inhibitors: Synthesis, biological evaluation and 3D-QSAR study

2016 ◽  
Vol 113 ◽  
pp. 228-245 ◽  
Author(s):  
Radha Karki ◽  
Kyu-Yeon Jun ◽  
Tara Man Kadayat ◽  
Somin Shin ◽  
Til Bahadur Thapa Magar ◽  
...  
Keyword(s):  
Topoisomerase I ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Pyridine Derivatives ◽  
Qsar Study
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