ChemInform Abstract: PYRIMIDINES. PART 53. NOVEL RING TRANSFORMATION INDUCED BY THE SUBSTITUENT EFFECT OF THE PHENYL GROUP. REACTION OF 5-BROMO-6-METHYL-1-PHENYLURACIL DERIVATIVES WITH AMINES AND HYDRAZINE TO GIVE HYDANTOINS AND PYRAZOLONES

1985 ◽  
Vol 16 (39) ◽  
Author(s):  
K. HIROTA ◽  
K. BANNO ◽  
Y. YAMADA ◽  
S. SENDA
Keyword(s):  
Substituent Effect ◽  
Phenyl Group ◽  
Ring Transformation ◽  
Group Reaction

ChemInform Abstract: LITHIATION OF 1,3-DITELLUROLES. A STRIKING SUBSTITUENT EFFECT OF THE PHENYL GROUP

1983 ◽  
Vol 14 (20) ◽  
Author(s):  
S. L. BENDER ◽  
M. R. DETTY ◽  
M. W. FICHTNER ◽  
N. F. HALEY
Keyword(s):  
Substituent Effect ◽  
Phenyl Group

Lithiation of 1,3-ditelluroles. A striking substituent effect of the phenyl group

1983 ◽  
Vol 24 (3) ◽  
pp. 237-240 ◽  
Author(s):  
S.L. Bender ◽  
Michael R. Detty ◽  
Michael W. Fichtner ◽  
Neil F. Haley
Keyword(s):  
Substituent Effect ◽  
Phenyl Group

4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study

2020 ◽  
Vol 20 ◽  
Author(s):  
Katharigatta N. Venugopala ◽  
Christophe Tratrat ◽  
Melendhran Pillay ◽  
Pran Kishore Deb ◽  
Deepak Chopra ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Acyl Carrier Protein ◽  
Phenyl Group ◽  
Antitubercular Activity ◽  
Docking Study ◽  
Benzyl Ester ◽  
Multi Drug Resistance ◽  
Carrier Protein ◽  
Molecular Docking Study ◽  
Lipinski’S Rule

Background: Tuberculosis remains one of the most deadly infectious diseases worldwide due to the emergence of multi-drug resistance (MDR) and extensively drug resistance (XDR) strains of Mycobacterium tuberculosis (MTB). Materials and Methods: Herein, the screening of a total of eight symmetrical 1,4-dihydropyridine (1,4-DHP) derivatives (4a-4h) was carried out for whole-cell anti-TB activity against the susceptible H37Rv and MDR strains of MTB. Results and Discussion: Most of the compounds exhibited moderate to excellent activity against the susceptible H37Rv. Moreover, the most promising compound 4f (against H37Rv) having para-trifluoromethyl phenyl group at 4-position and bis para-methoxy benzyl ester group at 3- and 5-positions of 1,4-dihydropyridine pharmacophore, exhibited no toxicity, but demonstrated weak activity against MTB strains resistant to isoniazid and rifampicin. In light of the inhibitory profile of the title compounds, enoyl-acyl carrier protein reductase (InhA) appeared to be the appropriate molecular target. Docking study of these derivatives against InhA receptor revealed favorable binding interactions. Further, in silico predicted ADME properties of these compounds 4a-4h were found to be in the acceptable ranges including satisfactory Lipinski’s rule of five, thereby indicating their potential as drug-like molecules. Conclusion: In particular, the 1,4-DHP derivative 4f can be considered as an attractive lead molecule for further exploration and development of more potent anti-TB agents as InhA inhibitors.

Substituent effect on wave numbers of C=O valence vibrations in ferrocene derivatives

1983 ◽  
Vol 48 (6) ◽  
pp. 1635-1646 ◽  
Author(s):  
Alexander Perjéssy ◽  
Štefan Toma
Keyword(s):  
Linear Correlation ◽  
Substituent Effect ◽  
Empirical Relation ◽  
Ferrocene Derivatives ◽  
Wave Numbers ◽  
Complex Structural ◽  
Transmission Factors

Wave numbers of C=O valence vibrations of 83 ferrocene derivatives have been measured in tetrachloromethane. For a series of 154 compounds containing ferrocene skeleton linear correlation has been found between wave numbers of C=O vibration and X+(R) constants of structural fragments in the sense of modified and extended Seth-Paul-Van Duyse equation. Validity has been verified of the recently derived empirical relation for calculation of the X+(R) constants of complex structural fragments from values of constants of substituents and transmission factors for simple structural groupings. The transmission factors γ and π' for 1,3- and 1,1'-ferrocene system have been found to be well applicable to calculation of constants of structural fragments containing ferrocene skeleton.

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