Skoči na glavni sadržaj

Izlaganje sa skupa

Theoretical Studies for Molecular Modeling of New Camptothecin Analogues

Sachiko Aida-Hyugaji
Hiroshi Nakagawa
Jumma Nomura
Minoru Sakurai
Umpei Nagashima
Toshihisa Ishikawa


Puni tekst: engleski pdf 202 Kb

str. 277-281

preuzimanja: 899

citiraj


Sažetak

Irinotecan (7-ethyl-10-[4-(1-piperidino)-1-piperidino carbonyloxycamptothecin: CPT-11) is a widely used potent antitumor drug that is developed based on camptothecin. However, overexpression of ABCG2 (BCRP/MXR/ABCP) confers cancer cells resistance to SN-38, that is, the active metabolite of irinotecan. In the present study to develop a platform for the molecular modeling to circumvent cancer drug resistance associated with ABCG2, we have characterized a total of fourteen new SN-38 analogues by some typical properties, which were evaluated by molecular orbital (MO) calculations and neural network (NN) QSAR technique.

Ključne riječi

camptothecin; ABCG2; neural network analysis; molecular orbital calculation

Hrčak ID:

12868

URI

https://hrcak.srce.hr/12868

Datum izdavanja:

12.6.2007.

Posjeta: 1.504 *