Tautomerism and steric effects in 1-nitro-9-(alkylamino)acridines (ledakrin or nitracrine analogs): probing structure-activity relationships at the molecular level

1985 ◽  
Vol 107 (7) ◽  
pp. 2067-2077 ◽  
Author(s):  
John J. Stezowski ◽  
Petra Kollat ◽  
Maria Bogucka-Ledochowska ◽  
Jenny P. Glusker
Keyword(s):  
Molecular Level ◽  
Steric Effects ◽  
Structure Activity Relationships ◽  
Structure Activity

Quantitative Structure-Activity Relationships (QSARs) for Materials Science

2001 ◽  
Vol 700 ◽  
Author(s):  
Krishna Rajan ◽  
Changwon Suh ◽  
Arun Rajagopalan ◽  
Xiang Li
Keyword(s):  
Organic Chemistry ◽  
Materials Science ◽  
Molecular Level ◽  
Combinatorial Synthesis ◽  
Quantitative Structure ◽  
New Materials ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Computational Aspects ◽  
Quantitative Structure Activity Relationships

AbstractThe field of combinatorial synthesis and “artificial intelligence” in materials science is still in its infancy. In order to develop and accelerated strategy in the discovery of new materials and processes, requires the need to integrate both the experimental aspects of combinatorial synthesis with the computational aspects of information based design of materials. In biology and organic chemistry, this has been accomplished by developing descriptors which help to specify “quantitative structure- activity relationships” at the molecular level. If materials science is to adopt these strategies as well, a similar framework of “QSARs” is required. In this paper, we outline some approaches that can lay the foundations for QSARs in materials science.

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.

scholarly journals Exploiting structure–activity relationships of QS-21 in the design and synthesis of streamlined saponin vaccine adjuvants

2020 ◽  
Vol 56 (5) ◽  
pp. 719-722
Author(s):  
Mattia Ghirardello ◽  
Ane Ruiz-de-Angulo ◽  
Nagore Sacristan ◽  
Diego Barriales ◽  
Jesús Jiménez-Barbero ◽  
...  
Keyword(s):  
Molecular Level ◽  
Vaccine Adjuvants ◽  
Adjuvant Activity ◽  
Structure Activity Relationships ◽  
Design And Synthesis ◽  
Structure Activity

This work provides new streamlined saponin vaccine adjuvants and molecular-level insights into saponin conformation that correlate with potent adjuvant activity.

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