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All Journal Jurnal Teknologi Industri Pertanian Jurnal Kimia (Journal of Chemistry) Bionatura Farmaka Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Indonesian Journal of Cancer Chemoprevention Dharmakarya : Jurnal Aplikasi Ipteks Untuk Masyarakat Indonesian Journal of Pharmaceutical Science and Technology JITRO (Jurnal Ilmiah dan Teknologi Peternakan Tropis) Jurnal Pengabdian Kepada Masyarakat (Indonesian Journal of Community Engagement) INDONESIAN JOURNAL OF PHARMACY Jurnal Keselamatan Radiasi dan Lingkungan IDJP (Indonesian Journal of Pharmaceutics) Jurnal Penelitian Pendidikan IPA (JPPIPA) Chimica et Natura Acta Jurnal Biologi Tropis Indonesian Journal of Chemistry Jurnal Inovasi Hasil Pengabdian Masyarakat (JIPEMAS) PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) JPPM (Jurnal Pengabdian dan Pemberdayaan Masyarakat) Majalah Farmasetika Kumawula: Jurnal Pengabdian Kepada Masyarakat Indonesian Journal of Biological Pharmacy Jurnal Sains dan Teknologi Farmasi Indonesia
Muchtaridi Muchtaridi
Departemen Analisis Farmasi Dan Kimia Medisinal - Fakultas Farmasi - Universitas Padjadjaran
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Journal : Indonesian Journal of Cancer Chemoprevention

 1 
Molecular Docking Study of Mangosteen (Garcinia mangostana L.) Xanthone-Derived Isolates as Anti Androgen Cecep Suhandi; Ersa Fadhilah; Nurfianti Silvia; Annisa Atusholihah; Randy Rassi Prayoga; Sandra Megantara; Muchtaridi Muchtaridi
Indonesian Journal of Cancer Chemoprevention Vol 12, No 1 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss1pp11-20

Abstract

Androgen receptor (AR) is the member of steroid hormone receptor involved in the progression of prostate cancer growth due to receptor over-activation. On the other hand, mangosteen (Garcinia mangostana L.) as a medicinal plant contains xanthone-derived compounds which were known to have cytotoxic activity towards any types of human cancer cells. This research aims to determine xanthone-derived isolates potency from mangosteen as AR antagonists. The study was carried out through molecular docking assay utilizing AutoDock 4.2.6 using androgen receptor obtained from PDB ID 2AM9, testosterone as native ligand, and bicalutamide, flutamide, and nilutamide as reference. The results indicated that three isolates (1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone, mangostinone, and trapezifolixanthone) have the highest potency to be AR antagonist seen from the lower bond-free energy value than all of reference ligand. The lowest bond-free energy was provided by mangostinone with a ΔG value of -10.05 kcal/mol. However, the highest difference of residual amino acids interaction with testosterone and similar interaction with bicalutamide was provided by 1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone, with five different amino acids with testosterone and nine similar amino acids with bicalutamide, respectively. Interestingly, 1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone has similar hydrogen bond with the key residue amino acids of AR (705-Asn and 711-Gln) which indicates probably partial agonist activity while mangostinone has the highest amount of hydrogen bond in the absence of hydrogen bond towards key residual amino acids of AR. The results concluded that three specific derived-xanthone compounds were predicted to have activity as AR antagonists.Keywords: Prostate cancer, Androgen receptor, Mangosteen, Xanthone, Molecular docking.
Co-Authors A. A. Putri A. Diantini - A. Khalilah A. L. Triadenda A. Mutalib - Abdul Mutalib Abdul Mutalib Abednego K. Gwiharto Abednego Kristande Abun Abun Abun Abun Abun Ade Rizqi Ridwan Firdaus Ade Zuhrotun Agus Rusdin Agus Rusdin AJENG DIANTINI Aliya Nur Hasanah Ami Tjiraresmi Anas Subarnas Andri Kusmayadi Angga Geganaputra Annisa Atusholihah Annisa Rafashafly Anton Apriyantono Arief Cahyanto Arif Budiman Arif Budiman Asep Nurrahman Yulianto Basuki Hidayat C. Suhandi Carla Florencia Cecep Suhandi Cecep Suhandi Cecep Suhandi Christine Christine CINDY APRILLIANIE WIJAYA Cindy Aprillianie Wijaya Cleopatra D. Semesta Desra Widdy Syafra Devani Olivia Winardi Dewi Permatasari Diah Lia Aulifa Diantini, A. - Dilal Adlin Fadil Dini Rochdiani Dolih Gozali - E. Laelasari E. Novianti Eli Halimah ELI HALIMAH Eli Halimah Ellen N. Yunita Elsa N. Sitinjak Elvan Kamal Ersa Fadhilah F. Ardiansyah Fadil, Dilal Adlin FATHIA NABILA AULANI Fathia Pebriani Ganendra Akbar Hadiyanto Gia A. Faradiba Hafidh Beta Arif Putra Harsoning Tyas Mardisanutol Hasna Chaerunisa Herlina Herlina I Made Jhoni I Made Joni I. R. Hartanti Ida Ayumiati Ida Musfiroh Ida Musfiroh Ida Musfiroh - Imam Adi Wicaksono Ivanna Fauziyah Kusnadi Iyan Sopyan Jessica Tristi Jessyca Sirait Jutti Levita Karyadi Karyadi Karyn Elizabeth Keiichi Motoyama Kevin Reinard Lie L. Pangestu Levita, J. - Lovita Adriani Luthfi Ihsan Sulaeman Luthfi U Setyawati Luthfi U. Setyawati Luthfi Utami Setyawati Luthfi Utami Setyawati Maitsa Alya Fakhirah Martalena Ramli MEGANTARA, SANDRA Meilinda setya praceka MELISSA MELISSA Mentari Luthfika Dewi Mohamad Taufik Ismullah Monica Richelle Herdady Muhammad Ariq Al Faruq Muhammad Fadhil Pratomo Muhammad Raihan Riyaldi Muhammad Syahid Abdillah Muhammad Yusuf Mulyana - - Musfiroh, I. - Mustarichie, R. - Mutakin Mutakin N. Elly Rosilawati N. N. Auliya AS Nabila Alivia Yasmin Nabilah Muhamad Nadia Ulil Fatiya Nadya Dwi Banowati NAELI FARHATY Nasrul Wathoni Nathannael Adrya Hadiwijaya Nazwa N. Mikdar Neli Neli Nia Yuniarsih Norisca A. Putriana Norisca Aliza Putri Norisca Aliza Putri Nurfianti Silvia Nurhanifah Puspitadewi Nursuhud NUZAHA BAQIYATUS SHOLIHAH AZIMAH Petra Pahlawanda Chrisanto Liawardi Randy Rassi Prayoga Ratu Hanifa Fayza Dipadharma Refitha N. Putri Richa Mardianingrum Rina Fajri Nuwarda Risda R Islamiyati Risda Rahmi Islamiaty Riska Febriyanti Ronny Lesmana S. Hidayat Salsa Sagitasa Salsabila Athaya Sandra Megantara SANDRA MEGANTARA Savira Silma Aulia Shafa Nurul Fadilah Siti Nunung Nurulaini Sitti Faza Karima Slamet Budijanto Sri Adi Sumiwi Sri Aguswarini Sri Gustini Husein St. Rohmani Nahariyah Stepanus Massora Sugianto Ayudha Hartono Suhendi, Cece Susyati Susyati Syahla Afaaf Alliyah Syahrul Hidayat T. N. Apriliya Taofik Rusdiana TIANA MILANDA TIARA SALSABILA MAJID Udin. L.Z - Ujang Hidayat Tanuwiria W. Oktavelia Wa Ode Ida Fitriah WARID ALI QOSIM Wiwit Nurhidayah Yasmiwar Susilawati Yulianto, Asep Nurrahman Yuni Nurjanah Zelika Mega Ramadhania