Pharmaceutical Sciences and Research (PSR)


Pemodelan Molekul Turunan p-Metoksi sinnamoil Hidrazida Sebagai Inhibitor Checkpoint Kinase 1 dan Inhibitor Aromatase secara In silico

Putra, Galih Satrio (Unknown)
Sulistyowatya, Melanny Ika (Unknown)
Ekowati, Juni (Unknown)
Budiati, Tutuk (Unknown)



Article Info

Publish Date
30 Aug 2018

Abstract

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.

Copyrights © 2018






Journal Info

Abbrev

publication:psr

Publisher

Subject

Description

Aims Pharmaceutical Sciences and Research (PSR), an international, peer-reviewed, open access, and official journal from Faculty of Pharmacy, Universitas Indonesia, aims to disseminate research results and findings in Pharmaceutical Sciences and Practices. Major area of interest is natural products ...