scholarly journals The activity against methicillin-resistant Staphylococcus aureus and quantitative structure-activity relationship (QSAR) study of aza-naphthindolizinedione derivatives

2013 ◽  
Vol 7 (17) ◽  
pp. 1020-1025 ◽  
Author(s):  
Lin-Kun An
Keyword(s):  
Staphylococcus Aureus ◽  
Methicillin Resistant Staphylococcus Aureus ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Qsar Study ◽  
Methicillin Resistant ◽  
Structure Activity

Prediction of Lipophilicity of some Quinolone Derivatives by using Quantitative Structure- Activity Relationship

2019 ◽  
Vol 16 ◽  
Author(s):  
Meysam Shirmohammadi ◽  
Zakiyeh Bayat ◽  
Esmat Mohammadinasab
Keyword(s):  
Partition Coefficient ◽  
Principal Component ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Selection Methods ◽  
Qsar Study ◽  
Structure Activity ◽  
Descriptor Selection

: Quantitative structure activity relationship (QSAR) was used to study the partition coefficient of some quinolones and their derivatives. These molecules are broad-spectrum antibiotic pharmaceutics. First, data were divided into two categories of train and test (validation) sets using random selection method. Second, three approaches including stepwise selection (STS) (forward), genetic algorithm (GA), and simulated annealing (SA) were used to select the descriptors, with the aim of examining the effect feature selection methods. To find the relation between descriptors and partition coefficient, multiple linear regression (MLR), principal component regression (PCR) and partial least squares (PLS) were used. QSAR study showed that the both regression and descriptor selection methods have vital role in the results. Different statistical metrics showed that the MLR-SA approach with (r2=0.96, q2=0.91, pred_r2=0.95) gives the best outcome. The proposed expression by MLR-SA approach can be used in the better design of novel quinolones and their derivatives.

scholarly journals Structure–activity relationship of the cinnamamide family of antibiotic potentiators for methicillin-resistant Staphylococcus aureus (MRSA)

MedChemComm ◽  
2018 ◽  
Vol 9 (12) ◽  
pp. 2008-2016
Author(s):  
Enrico Speri ◽  
Jennifer Fishovitz ◽  
Shahriar Mobashery
Keyword(s):  
Staphylococcus Aureus ◽  
Methicillin Resistant Staphylococcus Aureus ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Methicillin Resistant ◽  
Structure Activity ◽  
Relationship Of

MIC of oxacillin against S. aureus (MRSA252 strain) reduced from 256 μg mL−1 to 2 μg mL−1.

Sign in / Sign up

Export Citation Format

Share Document