Pemodelan Molekul Turunan p-Metoksi sinnamoil Hidrazida Sebagai Inhibitor Checkpoint Kinase 1 dan Inhibitor Aromatase secara In silico
| Main Authors: | Putra, Galih Satrio; Airlangga University, Sulistyowaty, Melanny Ika; Airlangga University, Ekowati, Juni; Airlangga University, Budiati, Tutuk; Airlangga University |
|---|---|
| Format: | Article info application/pdf eJournal |
| Bahasa: | eng |
| Terbitan: |
Directorate of Research and Community Engagement, Universitas Indonesia
, 2017
|
| Subjects: | |
| Online Access: |
http://psr.ui.ac.id/index.php/journal/article/view/3708 http://psr.ui.ac.id/index.php/journal/article/view/3708/641 http://psr.ui.ac.id/index.php/journal/article/downloadSuppFile/3708/724 http://psr.ui.ac.id/index.php/journal/article/downloadSuppFile/3708/725 http://psr.ui.ac.id/index.php/journal/article/downloadSuppFile/3708/726 http://psr.ui.ac.id/index.php/journal/article/downloadSuppFile/3708/727 |
Daftar Isi:
- The development of anticancer drugs from ethyl p-methoxycinnamate (EPMC) derivatives continue to obtain compounds that have high ability of cancer cells apoptosis and minimal side effects. Compounds p-Methoxycinnamoyl hydrazide derivatives from EPMC structure modification were docked into the ligand-binding pocket of Check point kinase 1 enzymes (2YWP) and the aromatase enzyme (3S7S) using software Molegro Virtual Docker (MVD) Ver.5.5.We compared the Rerank score of native ligand with derived compounds p-Methoxycinnamoyl hydrazide. Rerank score of Compound 4b and 4c (-99.98 Kcal/mol and -99.80Kcal/mol) is lower than the native ligand A42 in inhibiting the enzyme checkpoint kinase 1. Rerank value of compounds p-Methoxycinnamoyl hydrazide derivatives is greater than the native ligand EXM in inhibiting the enzyme aromatase.Compounds p-Methoxycinnamoyl hydrazide derivatives especially compound 4b and 4c have anticancer mechanism by inhibiting the enzyme pathway checkpoint kinase 1 and have not activity in inhibiting the enzyme aromatase.