Add to ORKGElectronic structures, Conformational Analysis, effect of the substitution and structure activity Relationships for macrodiolides, have been studied by PM3 and ab initio methods. In the present work, the calculated values, namely net charges, bond lengths, MESP, dipole moments, electron-affinities, heats of formation, drug-likeness and QSAR properties, are reported and discussed in terms of the biological activity of macrodiolides
Natural product-like macrocycles were designed as potential antibacterial compounds. The macrocycles...
Macrocycles are currently an important area of investigation in drug design and development. Macrocy...
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of s...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Conformational analysis of the macrolides from 12 to 22 links was carried out using molecular mechan...
Le présent travail concerne une recherche fondamentale sur la relation structure - activité dans des...
After the discovery of erythromycin and other natural compounds, including oleandomycin, spiramycin,...
License, which permits unrestricted use, distribution, and reproduction in any medium, provided the ...
The conformationally controlled reactions of macrolides 42, 43, 72 and 74 were investigated. Treatme...
Macrocycles form an important compound class in medicinal chemistry due to their interesting structu...
The ribosomal bound conformation of 14-membered-ring macrolides roxithromycin, erythromycin A and th...
The integration of computational methods into the drug discovery process provides valuable tools to ...
Carbon-13(^(13)C NMR) chemical shifts are reported and assigned for a series of naturally occurring ...
Conformation describes the spatial arrangement of atoms in a molecule. The conformation of a macrocy...
Natural product-like macrocycles were designed as potential antibacterial compounds. The macrocycles...
Macrocycles are currently an important area of investigation in drug design and development. Macrocy...
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of s...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Conformational analysis of the macrolides from 12 to 22 links was carried out using molecular mechan...
Le présent travail concerne une recherche fondamentale sur la relation structure - activité dans des...
After the discovery of erythromycin and other natural compounds, including oleandomycin, spiramycin,...
License, which permits unrestricted use, distribution, and reproduction in any medium, provided the ...
The conformationally controlled reactions of macrolides 42, 43, 72 and 74 were investigated. Treatme...
Macrocycles form an important compound class in medicinal chemistry due to their interesting structu...
The ribosomal bound conformation of 14-membered-ring macrolides roxithromycin, erythromycin A and th...
The integration of computational methods into the drug discovery process provides valuable tools to ...
Carbon-13(^(13)C NMR) chemical shifts are reported and assigned for a series of naturally occurring ...
Conformation describes the spatial arrangement of atoms in a molecule. The conformation of a macrocy...
Natural product-like macrocycles were designed as potential antibacterial compounds. The macrocycles...
Macrocycles are currently an important area of investigation in drug design and development. Macrocy...
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of s...