Pemodelan Molekul Turunan p-Metoksi sinnamoil Hidrazida Sebagai Inhibitor Checkpoint Kinase 1 dan Inhibitor Aromatase secara In silico
| Main Authors: | Putra, Galih Satrio, Sulistyowatya, Melanny Ika, Ekowati, Juni, Budiati, Tutuk |
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| Format: | Book application/pdf Journal |
| Terbitan: |
UI Scholars Hub
, 2018
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| Subjects: | |
| Online Access: |
https://scholarhub.ui.ac.id/psr/vol4/iss2/2 https://scholarhub.ui.ac.id/cgi/viewcontent.cgi?article=1140&context=psr |
Daftar Isi:
- The development of anticancer drugs from ethyl p-methoxycinnamate (EPMC) derivatives has been done to compounds high activity in inducing cancer cells apoptosis and minimal side effects. p-Methoxycinnamoyl hydrazide derivates, modified from EPMC structure, 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 p-Methoxycinnamoyl hydrazide derivates. Rerank scores of compounds 4b and 4c (-99.98 Kcal/mol and -99.80 Kcal/mol) were lower than the native ligand A42 in inhibiting the enzyme checkpoint kinase 1. Rerank values of p-Methoxycinnamoyl hydrazide derivate compounds were greater than the native ligand EXM in inhibiting the enzyme aromatase. p-Methoxycinnamoyl hydrazide derivate compounds, especially compounds 4b and 4c, had anticancer mechanism by inhibiting the checkpoint kinase 1 enzyme pathway and showed no activity in inhibiting the aromatase enzyme.