scholarly journals Substrate structure–activity relationships guide rational engineering of modular polyketide synthase ketoreductases

2016 ◽  
Vol 52 (4) ◽  
pp. 792-795 ◽  
Author(s):  
Constance B. Bailey ◽  
Marjolein E. Pasman ◽  
Adrian T. Keatinge-Clay
Keyword(s):  
Polyketide Synthase ◽  
Structure Activity Relationship ◽  
Active Enzyme ◽  
Activity Relationship ◽  
Structure Activity Relationships ◽  
Rational Engineering ◽  
Substrate Structure ◽  
Structure Activity ◽  
Modular Polyketide Synthase

Structure–activity relationship studies guided stereocontrol engineering within a modular polyketide synthase ketoreductase to yield a more active enzyme whose reactivity can be explained through the Felkin–Anh model.

scholarly journals Cationic lipids with a cyclen headgroup: synthesis and structure–activity relationship studies as non-viral gene vectors

RSC Advances ◽  
2017 ◽  
Vol 7 (30) ◽  
pp. 18681-18689 ◽  
Author(s):  
De-Chun Chang ◽  
Yi-Mei Zhang ◽  
Ji Zhang ◽  
Yan-Hong Liu ◽  
Xiao-Qi Yu
Keyword(s):  
Gene Delivery ◽  
Structure Activity Relationship ◽  
Cationic Lipids ◽  
Activity Relationship ◽  
Viral Gene ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Gene Delivery Vectors ◽  
Gene Vectors ◽  
Viral Gene Delivery

The structure–activity relationships of cyclen-based cationic lipids as non-viral gene delivery vectors were studied and clarified.

scholarly journals From in vitro to in cellulo: structure–activity relationship of (2-nitrophenyl)methanol derivatives as inhibitors of PqsD in Pseudomonas aeruginosa

2014 ◽  
Vol 12 (32) ◽  
pp. 6094-6104 ◽  
Author(s):  
Michael P. Storz ◽  
Giuseppe Allegretta ◽  
Benjamin Kirsch ◽  
Martin Empting ◽  
Rolf W. Hartmann
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Relationship Of ◽  
Derivatives Of

More than 60 derivatives of (2-nitrophenyl)methanol were synthesized and evaluated regarding their potency to inhibit PqsD. In vitro and in cellulo structure–activity relationships were derived.

Combined 3D-quantitative structure–activity relationships and topomer technology-based molecular design of human 4-hydroxyphenylpyruvate dioxygenase inhibitors

2020 ◽  
Vol 12 (9) ◽  
pp. 795-811 ◽  
Author(s):  
Yong-Xuan Liu ◽  
Shuang Gao ◽  
Tong Ye ◽  
Jia-Zhong Li ◽  
Fei Ye ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Binding Free Energy ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Type I ◽  
Quantitative Structure ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Quantitative Structure Activity Relationships ◽  
Relationship Of

Aim: 4-Hydroxyphenylpyruvate dioxygenase (HPPD) has attracted increasing attention as an important target against tyrosinemia type I. This paper aimed to explore the structure–activity relationship of HPPD inhibitors with pyrazole scaffolds and to design novel HPPD inhibitors. Methodology & results: The best 3D-quantitative structure–activity relationships model was established by two different strategies based on 40 pyrazole scaffold-based analogs. Screening of molecular fragments by topomer technology, combined with molecular docking, 14 structures were identified for potential human HPPD inhibitory activity. Molecular dynamics results demonstrated that all the compounds obtained bound to the enzyme and possessed a satisfactory binding free energy. Conclusion: The quantitative structure–activity relationship of HPPD inhibitors of pyrazole scaffolds was clarified and 14 original structures with potential human HPPD inhibitory activity were obtained.

scholarly journals Research developments in the syntheses, anti-inflammatory activities and structure–activity relationships of pyrimidines

RSC Advances ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 6060-6098
Author(s):  
Haroon ur Rashid ◽  
Marco Antonio Utrera Martines ◽  
Adriana Pereira Duarte ◽  
Juliana Jorge ◽  
Shagufta Rasool ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Pyrimidine Derivatives ◽  
Structure Activity Relationships ◽  
Sar Studies ◽  
Structure Activity ◽  
Recent Developments ◽  
Anti Inflammatory

This review sums up recent developments in the syntheses, anti-inflammatory activities, and structure–activity relationship (SAR) studies of pyrimidine derivatives.

Understanding the structure–activity relationship between quercetin and naringenin: in vitro

RSC Advances ◽  
2015 ◽  
Vol 5 (128) ◽  
pp. 106171-106181 ◽  
Author(s):  
Bao Tu ◽  
Zhi-Juan Liu ◽  
Zhi-Feng Chen ◽  
Yu Ouyang ◽  
Yan-Jun Hu
Keyword(s):  
Molecular Level ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity Relationships ◽  
Structure Activity

The interactions of quercetin and naringenin with DNA have been studied at molecular level, which may throw light on their structure–activity relationships, helpful for the design of analogs flavonoids and their application in drug industries.

Antibacterial green tea catechins from a molecular perspective: mechanisms of action and structure–activity relationships

2020 ◽  
Vol 11 (11) ◽  
pp. 9370-9396
Author(s):  
Andrea Renzetti ◽  
Jonathan W. Betts ◽  
Kozo Fukumoto ◽  
Ryan Noboru Rutherford
Keyword(s):  
Green Tea ◽  
Structure Activity Relationship ◽  
Mechanisms Of Action ◽  
Antibacterial Action ◽  
Activity Relationship ◽  
Tea Catechins ◽  
Structure Activity Relationships ◽  
Green Tea Catechins ◽  
Sar Studies ◽  
Structure Activity

This review summarizes the mechanisms of antibacterial action of green tea catechins, discussing the structure–activity relationship (SAR) studies for each mechanism.

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