Hexahydrophthalimide–benzothiazole hybrids as a new class of protoporphyrinogen oxidase inhibitors: synthesis, structure–activity relationship, and DFT calculations

2014 ◽  
Vol 38 (9) ◽  
pp. 4510 ◽  
Author(s):  
Qiong-You Wu ◽  
Li-Li Jiang ◽  
Sheng-Gang Yang ◽  
Yang Zuo ◽  
Zhi-Fang Wang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Protoporphyrinogen Oxidase ◽  
New Class ◽  
Structure Activity

Structure–activity relationship studies on ortho-substituted cinnamic acids, a new class of selective EP3 antagonists

2005 ◽  
Vol 15 (3) ◽  
pp. 527-530 ◽  
Author(s):  
Michel Belley ◽  
Michel Gallant ◽  
Bruno Roy ◽  
Karine Houde ◽  
Nicolas Lachance ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Cinnamic Acids ◽  
New Class ◽  
Structure Activity

Pyrazole and imidazo[1,2-b]pyrazole Derivatives as New Potential Antituberculosis Agents

2019 ◽  
Vol 15 (1) ◽  
pp. 17-27 ◽  
Author(s):  
Elda Meta ◽  
Chiara Brullo ◽  
Michele Tonelli ◽  
Scott G. Franzblau ◽  
Yuehong Wang ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Pyrazole Derivatives ◽  
Antitubercular Agents ◽  
Active Compounds ◽  
Protein Targets ◽  
Preliminary Screening ◽  
New Class ◽  
Structure Activity ◽  
Starting Point

Background: We screened a large library of differently decorated imidazo-pyrazole and pyrazole derivatives as possible new antitubercular agents and this preliminary screening showed that many compounds are able to totally inhibit Mycobacterium growth (>90 %). Among the most active compounds, we selected some new possible hits based on their similarities and, at the same time, on their novelty with respect to the pipeline drugs. </P><P> Methods: In order to increase the potency and obtain more information about structure-activity relationship (SAR), we designed and synthesized three new series of compounds (2a–e, 3a–e, and 4a–l). Conclusion: Performed tests confirmed that both new pyrazoles and imidazo-pyrazoles could represent a new starting point to obtain more potent compounds and further work is now underway to identify the protein targets of this new class of anti-TB agents.

Prenylflavonoids: A New Class of Non-Steroidal Phytoestrogen (Part 1). Isolation of 8-Isopentenylnaringenin and an Initial Study on its Structure-Activity Relationship

Planta Medica ◽  
1998 ◽  
Vol 64 (06) ◽  
pp. 511-515 ◽  
Author(s):  
Masahiro Kitaoka ◽  
Hiroshi Kadokawa ◽  
Machiko Sugano ◽  
Kazuo Ichikawa ◽  
Motohiko Taki ◽  
...  
Keyword(s):  
Initial Study ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
New Class ◽  
Structure Activity

Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure–activity relationship

2015 ◽  
Vol 39 (9) ◽  
pp. 6997-7003 ◽  
Author(s):  
Jie Li ◽  
Teng Xi ◽  
Biao Yan ◽  
Mingyan Yang ◽  
Jirong Song ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dft Calculations ◽  
Electronic Structures ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Antifungal Activities ◽  
Structure Activity ◽  
Theoretical Investigations ◽  
Biocidal Properties

Theoretical investigations of the electronic structures of Cu(ii) complexes carried out by DFT calculations partially explained the increased biocidal properties.

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