- Tytuł:
- Assessment of the free binding energy of 1,25-dihydroxyvitamin D3 and its analogs with the human VDR receptor model
- Autorzy:
-
Kamel, Karol
Kolinski, Andrzej - Powiązania:
- https://bibliotekanauki.pl/articles/1039678.pdf
- Data publikacji:
- 2012
- Wydawca:
- Polskie Towarzystwo Biochemiczne
- Tematy:
-
KH 1060
drug design
docking
EB 1089
vitamin D
RO 25-9022 - Opis:
- 1,25-dihydroxyvitamin D3 has quite significant anticancer properties, but its strong calcemic effect in principle excludes it as a potential anticancer drug. Currently, a lot of effort is being devoted to develop potent anticancer analogs of 1,25-dihydroxyvitamin D3 that would not induce hypercalcemia during therapy. In this work, the free binding energy of the VDR receptor with 1,25-dihydroxyvitamin D3 and its three potent analogs (EB 1089, KH 1060 and RO 25-9022) is calculated and compared with each other. With this approach, we could estimate the relative binding affinity of the most potent analog, RO 25-9022, and also revealed a quite distinct mechanism of its interaction with VDR.
- Źródło:
-
Acta Biochimica Polonica; 2012, 59, 4; 653-660
0001-527X - Pojawia się w:
- Acta Biochimica Polonica
- Dostawca treści:
- Biblioteka Nauki
Artykuł