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All Journal JPM17: Jurnal Pengabdian Masyarakat JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat Pharmaceutical Sciences and Research (PSR)
Melanny Ika Sulistyowaty
Pharmaceutical Sciences Department, Faculty Of Pharmacy, Universitas Airlangga, Surabaya
Agriculture, Biological Sciences & Forestry Arts Humanities Chemistry Economics, Econometrics & Finance Education Health Professions Law, Crime, Criminology & Criminal Justice Medicine & Pharmacology Public Health Social Sciences Other

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Journal : Pharmaceutical Sciences and Research (PSR)

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Pemodelan Molekul Turunan p-Metoksi sinnamoil Hidrazida Sebagai Inhibitor Checkpoint Kinase 1 dan Inhibitor Aromatase secara In silico Putra, Galih Satrio; Sulistyowatya, Melanny Ika; Ekowati, Juni; Budiati, Tutuk
Pharmaceutical Sciences and Research
Publisher : UI Scholars Hub

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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.
Co-Authors Achmad Toto Poernomo Daryono Hadi Tjahjono Dewi Melani Hariyadi Farida Suhud Galih Satrio Putra Galih Satrio Putra Galih Satrio Putra, Galih Satrio Imamatin Nufus Melania Juni Ekowati M. Faris Adrianto Mohammad Rizki Fadhil Pratama Muhamad Ilham Royyan Nafi’ Praditapuspa, Ersanda Nurma Putri Hamidah Khairunnisa Rosita Handayani Rossa Auli Tasha Tegar Achsendo Yuniarta Tutuk Budiati