Pregled bibliografske jedinice broj: 164057
QSAR Study of Phthalimide Derivatives
QSAR Study of Phthalimide Derivatives // MATH/CHEM/COMP 2004, Book of abstracts / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko (ur.).
Zagreb, 2004. str. 54-54 (poster, nije recenziran, sažetak, znanstveni)
CROSBI ID: 164057 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
QSAR Study of Phthalimide Derivatives
Autori
Nikolić, Sonja ; Medić-Šarić, Marica ; Matijević-Sosa, Julija ; Puzović, Marko
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
MATH/CHEM/COMP 2004, Book of abstracts
/ Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb, 2004, 54-54
Skup
MATH/CHEM/COMP 2004
Mjesto i datum
Dubrovnik, Hrvatska, 21.06.2004. - 26.06.2004
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
phthalimide derivatives; QSAR study; topological indices
Sažetak
Various phthalimide derivatives have been known for a long time as substances with different biological activities as cytostatic, plant growth regulators, bacteriostatic and fungistatic. The interest for investigation of these substances has increased after the discovery of teratogenic activities of thalidomide (a-phthalimidoglutarimide), used as sedative. Thalidomide showed inhibition of angiogenesis and is being evaluated as an anticancer agent and drug for diabetic retinopathy and osteoporosis. On the basis of suppression of inflamation and immunomodulation thalidomide is in use as drug for leprosy (ENL) already from 1964 and now is investigated for AIDS. The dermatological effects are great and some of the results in vitro appears that thalidomide may be able to inhibit HIV replication.1 Structure-activity relationships of thalidomide and analogs showed that some of the simple derivatives, as N-OH-phthalimide, were more effective and it is therefore the reason for further investigation of phthalimide derivatives. In our work we have studied mitodepressive activity, %I, of some phphalimides with isoxazolone or pyrazolone rings, hydroxamic acids and other substituents. Their partition coefficients, log P (o/w), were calculated according to Rekker method By using the methods of molecular modeling, the relationships between structure, properties and activity of these compounds were investigated. Three topological indices were used:2 Wiener index, the valence connectivity index, and the Balaban index.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
