Photosensitizer-peptoid conjugates for photoinactivation of gram-negative bacteria: structure-activity relationship and mechanistic studies

2021 ◽  
Author(s):  
Woojin Yang ◽  
Younggun Yoon ◽  
Yunjee Lee ◽  
Hyeongyeol Oh ◽  
Jieun Choi ◽  
...  
Keyword(s):  
Bacterial Infection ◽  
Structure Activity Relationship ◽  
Mechanisms Of Action ◽  
Activity Relationship ◽  
Gram Negative Bacteria ◽  
Effective Strategy ◽  
Mechanistic Studies ◽  
Gram Negative ◽  
Structure Activity

Multitarget engagement is considered an effective strategy to overcome the threat of bacterial infection, and antimicrobials with multiple mechanisms of action have been successful as natural chemical weaponry. Here, we...

Comprehensive 2D-Quantitative Structure-Activity Relationship Study on Monobactam Analogues Against Gram-Negative Bacteria

2020 ◽  
Vol 16 (6) ◽  
pp. 941-953
Author(s):  
Dousheng Zhang ◽  
Xia Zhang ◽  
Zhiwen Li ◽  
Sheng Tang ◽  
Zhihao Guo ◽  
...  
Keyword(s):  
Bacterial Infections ◽  
Rational Design ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Klebsiella Pneumonia ◽  
Gram Negative Bacteria ◽  
Quantitative Structure ◽  
Gram Negative ◽  
Structure Activity

Human health has been severely affected by infections resulting from multidrug-resistant (MDR) gram-negative bacteria (GNB). Monobactam antibiotics are known to be effective against such infections. This study aimed to construct a predictive two-dimensional quantitative structure-activity relationship (2D-QSAR) model for the rational design of new monobactams based on the 65 known monobactams against Escherichia coli (Eco) and Klebsiella pneumonia (Kpn) strains using the kernel partial least squares regression (KPLS) algorithm. The total performance of Eco and Kpn KPLS modes was shown as RMSE: 0.681/0.596, R2: 0.946/0.882, Q2: 0.922/0.877, and RMSU: 0.625/0.593. Thirty-four monobactams reported in our lab were chosen as external data to predict their activities against Eco and Kpn using the newly established models, by which the R2 between the experimental and predicted values was 0.878 and 0.871, respectively. The models developed and verified in this study provide a powerful design strategy for novel monobactams that are effective against MDR gram-negative bacterial infections.

scholarly journals Supported rhenium nanoparticle catalysts for acceptorless dehydrogenation of alcohols: structure–activity relationship and mechanistic studies

2016 ◽  
Vol 6 (15) ◽  
pp. 5864-5870 ◽  
Author(s):  
Kenichi Kon ◽  
Wataru Onodera ◽  
Takashi Toyao ◽  
Ken-ichi Shimizu
Keyword(s):  
Metal Nanoparticles ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Mechanistic Studies ◽  
Acid Base ◽  
Title Reaction ◽  
Nanoparticle Catalysts ◽  
Cooperative Catalysis ◽  
Structure Activity

Mechanistic and structure–activity relationship studies show cooperative catalysis of Re0 sites on the supported Re metal nanoparticles and acid–base sites of alumina for the title reaction.

Structure-activity relationship-based screening of antibiotics against Gram-negative Acinetobacter baumannii

2017 ◽  
Vol 25 (1) ◽  
pp. 372-380 ◽  
Author(s):  
Jee-Young Lee ◽  
Min-Cheol Jeong ◽  
Dasom Jeon ◽  
Yeongjun Lee ◽  
Woo Cheol Lee ◽  
...  
Keyword(s):  
Acinetobacter Baumannii ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Gram Negative ◽  
Structure Activity

scholarly journals Effect of mitonafide analogs on topoisomerase II of Leishmania chagasi.

1996 ◽  
Vol 40 (3) ◽  
pp. 706-709 ◽  
Author(s):  
K M Slunt ◽  
J M Grace ◽  
T L Macdonald ◽  
R D Pearson
Keyword(s):  
Topoisomerase Ii ◽  
Structure Activity Relationship ◽  
Mechanisms Of Action ◽  
Activity Relationship ◽  
Leishmania Chagasi ◽  
Short Term ◽  
Structural Requirements ◽  
Structure Activity ◽  
Selective Targeting ◽  
Insight Into

Mitonafide (4-nitro-benzoisoquinolinedione) and a number of structural analogs were synthesized and studied in order to determine the structural requirements for inhibition of leishmanial nuclear and kinetoplast topoisomerase II and human topoisomerase II. The structure-activity relationship studies with the mitonafide analogs demonstrated that there was selective targeting of leishmanial nuclear topoisomerase II and human topoisomerase II and differential targeting of kinetoplast over nuclear topoisomerase II in the parasite. Mitonafide analogs appeared to have multiple mechanisms of action leading to death of leishmanias, but several compounds that affected kinetoplast but not nuclear topoisomerase II were not cytotoxic as determined by short-term assays. These studies provide new insight into the differential sensitivities of leishmanial nuclear and kinetoplast topoisomerase II to topoisomerase II-targeting drugs.

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