- Tytuł:
- Conformational Analysis, Substituent Effect and Structure activity Relationships of 16-Membered Macrodiolides
- Autorzy:
-
Mazri, R.
Belaidi, S.
Kerassa, A.
Lanez, T. - Powiązania:
- https://bibliotekanauki.pl/articles/412492.pdf
- Data publikacji:
- 2014
- Wydawca:
- Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
- Tematy:
-
macrodiolide
antibiotic
structure
ab intio
PM3
Lipinski rule and QSAR Properties - Opis:
- Electronic 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.
- Źródło:
-
International Letters of Chemistry, Physics and Astronomy; 2014, 14, 2; 146-167
2299-3843 - Pojawia się w:
- International Letters of Chemistry, Physics and Astronomy
- Dostawca treści:
- Biblioteka Nauki
Artykuł