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All Journal TELKOMNIKA (Telecommunication Computing Electronics and Control) Journal of Environmental Engineering and Sustainable Technology Indonesian Green Technology Journal The Journal of Pure and Applied Chemistry Research Jurnal Penelitian Pendidikan IPA (JPPIPA) JKPK (Jurnal Kimia dan Pendidikan Kimia) Jurnal Litbang Sukowati : Media Penelitian dan Pengembangan
Warsito Warsito
Brawijaya University
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Engineering Environmental Science Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Physics Social Sciences Other

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Journal : Jurnal Penelitian Pendidikan IPA (JPPIPA)

 1 
Skrining Aktivitas Senyawa Limonen dan Turunannya dalam Menghambat Enzim MMP-2, MMP-9, Cyclin A2 pada Kanker Payudara Triple Negative melalui Molecular Docking Qurrotul A'yun; Warsito Warsito; Elvina Dhiaul Iftitah
Jurnal Penelitian Pendidikan IPA Vol. 8 No. 6 (2022): December
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v8i6.1917

Abstract

Breast cancer is among the diseases with the highest mortality rate in women in the world. The triple negative cancer subtype with aggressiveness and metastatic ability causes the sufferer to be difficult to treat. Targeted treatment efforts of natural ingredients such as limonene and its derivatives are more profitable due to their easy excretion process. Screening the activity of compounds through docking specifically provides convenience in the synthesis process in the laboratory. Limonene compounds and their derivatives will be interpreted against the enzymes MMP-2 (PDB ID: 3AYU), MMP-9 (PDB ID: 4H1Q) and Cyclin A2 (PDB ID: 2V22) involved in the cellular function of triple-negative breast cancer using PyRx 9.0 software. The docking results showed that the limonelyl salicylate compound provided the best binding affinity value against the enzymes MMP-2, MMP-9, and Cyclin A2 with successive values of -7.7, -8.8, and -6.7 kcal/mol.
Hibridisasi Sintesis dan Uji Aktivitas Antikanker Turunan Baru Asam Karboksilat secara In-Silico dan In-Vitro Asyfariatus Zulfa Azhar; Warsito Warsito; Arie Srihardyastutie
Jurnal Penelitian Pendidikan IPA Vol. 9 No. 9 (2023): September
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v9i9.3439

Abstract

Design of new compounds as active ingredients of drugs must be selective and efficient to achieve therapeutic efficacy and minimize resulting side effects. Hybridization synthesis approaches using major components of essential oils can reliably generate new molecules that are superior as active ingredients of anti-cancer drugs due to their cytotoxic properties. This study synthesized a hybrid molecule of citronellyl salicylate by an esterification reaction using Steglich and Fisher method under ultrasonic assistance. The Steglich esterification is more efficient in producing citronellyl salicylate during 30 minutes reaction, yield 12.45%. Analysis of the synthesized product by FTIR is characterized by the presence of typical absorptions of the ester group at ῡ 1650 cm-1 and 1270 cm-1, while LC ESI-MS shows m/z 294 is indicated [M+NH4]+. Anticancer activity was tested in-silico for protein receptors MMP-9, MMP-2, Cyclin-A, p53, and BAK using Molecular Docking Pyrx 9.0 and the highest activity was shown binding affinity value -8.4 kcal/mol for the MMP-9 protein receptor. Similarly, the results of the in vitro activity assay of citronellyl salicylate to 4T1 breast cancer cells showed that the morphology of cancer cells was damaged and the viability of cancer cells was lower than that of normal cells
Co-Authors Adilatunnisa Nur Indah Berliana Adzkia Qisthi Ismail Arie Srihardyastutie Asyfariatus Zulfa Azhar Ayu Yasri Putri Damiana Nofita Birhi Djalal Rosidi Edi Priyo Utomo Eko Saputro Elvina Dhiaul Iftitah Elvina Dhiaul Iftitah Fadhlih Arya Seta Fitri Ariadna Sodi Miranda Lilik Eka Radiati M. Aziz Muslim Masruri Masruri Muhammad Muqorrobin Mukesh Sharma Noorhamdani Noorhamdani Noorhamdani Noorhamdani Nur Hidayat Prasetyo Adi Qurrotul A'yun Rahmatika Ayu Habsari Retno Indriatie Rissa Dwi Susanti Siti Mariyah Ulfa Sukardi Sukardi Suratmo Suratmo Zainul Abidin