Structure-activity relations among the O-acyl derivatives of leucomycin. Correlation of minimal inhibitory concentrations with binding to Escherichia coli ribosomes

1977 ◽  
Vol 20 (5) ◽  
pp. 732-736 ◽  
Author(s):  
S. Omura ◽  
A. Nakagawa ◽  
H. Sakakibara ◽  
O. Okekawa ◽  
R. Brandsch ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Minimal Inhibitory Concentrations ◽  
Structure Activity ◽  
Structure Activity Relations ◽  
Derivatives Of ◽  
Acyl Derivatives

Structure-activity relations in the vitamin E series. II. Derivatives of .alpha.-tocopherol substituted at the 5-methyl group

1969 ◽  
Vol 12 (1) ◽  
pp. 64-66 ◽  
Author(s):  
Wilfred A. Skinner ◽  
R. M. Parkhurst ◽  
Jean Scholler ◽  
Klaus Schwarz
Keyword(s):  
Vitamin E ◽  
Alpha Tocopherol ◽  
Methyl Group ◽  
Structure Activity ◽  
Structure Activity Relations ◽  
Derivatives Of

QSARs on Bactericidal Activity of 3-carboxy-4-quinolones

2008 ◽  
Vol 59 (2) ◽  
pp. 185-194 ◽  
Author(s):  
Laszlo Tarko ◽  
Lucia Pintilie ◽  
Catalina Negut ◽  
Corneliu Oniscu ◽  
Miron Teodor Caproiu
Keyword(s):  
Escherichia Coli ◽  
Bactericidal Activity ◽  
Molecular Shape ◽  
Quantitative Structure Activity Relationship ◽  
Quantitative Structure ◽  
Specific Criterion ◽  
Structure Activity ◽  
Dependent Property ◽  
Chemical Groups ◽  
Derivatives Of

This paper presents results of three QSAR (Quantitative Structure Activity Relationship) studies realized with the PRECLAV computer program. The database we used contains initially 100 derivatives of 3-carboxy-4-quinolone. The dependent property is bactericidal activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. A specific criterion identifies the outlier molecules in the calibration set. Two molecules are identified as �possible outliers for lead hopping�. After the elimination of outliers, we obtained: N = 77 / 86 / 84, s = 0.2904 / 0.3583 / 0.2993, r2 = 0.8850 / 0.7943 / 0.8645, F = 91.1 / 37.6 / 82.9 and r2CV = 0.8415 / 0.7337 / 0.8415. The bactericidal activity against the three studied bacteria was favored by the presence of saturated C substituted (hetero)cycles, by the presence of certain groups (-F, unconjugated -NH/-NH2) and by a non-balanced molecular shape. The bactericidal activity was disfavored by the presence of certain chemical groups (-NO2, -C6H4, -CO-) and of the triazole cycle. The lipophilic/hydrophilic feature of quinolones has little impact upon bactericidal activity.

ChemInform Abstract: STRUCTURE-ACTIVITY RELATIONS IN CEPHALOSPORINS PREPARED FROM PENICILLINS. 1. 7β-ACYLAMINO DERIVATIVES OF 3-BENZYL- AND 3-(3-PYRIDYLMETHYL)CEPH-3-EM-4-CARBOXYLIC ACIDS

1977 ◽  
Vol 8 (49) ◽  
pp. no-no
Author(s):  
E. G. BRAIN ◽  
A. J. EGLINGTON ◽  
J. H. C. NAYLER ◽  
N. F. OSBORNE ◽  
M. J. PEARSON ◽  
...  
Keyword(s):  
Carboxylic Acids ◽  
Structure Activity ◽  
Structure Activity Relations ◽  
Abstract Structure ◽  
Derivatives Of

scholarly journals New Acyl Derivatives of 3-Aminofurazanes and Their Antiplasmodial Activities

2021 ◽  
Vol 14 (5) ◽  
pp. 412
Author(s):  
Theresa Hermann ◽  
Patrick Hochegger ◽  
Johanna Dolensky ◽  
Werner Seebacher ◽  
Robert Saf ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
Antiplasmodial Activity ◽  
Log P ◽  
Substitution Pattern ◽  
Structure Activity ◽  
Different Strains ◽  
Derivatives Of ◽  
Acyl Derivatives ◽  
Multiresistant Strain

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure–activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their phenyl ring affected the activity and the cytotoxicity of compounds. In addition, physicochemical parameters were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3-(trifluoromethyl)benzamide possessed good physicochemical properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50(NF54) = 0.019 µM) and even higher antiplasmodial activity against a multiresistant strain (IC50(K1) = 0.007 µM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved.

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