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All Journal JURNAL EVALUASI PENDIDIKAN JEES (Journal of English Educators Society) JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Keperawatan Sriwijaya Sawala : Jurnal Administrasi Negara Jurnal Manajemen Informasi dan Administrasi Kesehatan J Statistika: Jurnal Ilmiah Teori dan Aplikasi Statistika Journal of Health Policy and Management JURNAL TEKNOLOGI DAN OPEN SOURCE Jurnal Ilmu Perilaku The Asia Pacific Journal Of Management Studies Jurnal Berdaya Mandiri Jurnal Pengabdian Masyarakat Asia Jurnal Mandala Pengabdian Masyarakat Journal of Language, Literature, and English Teaching (JULIET) GOVERNANCE: Jurnal Ilmiah Kajian Politik Lokal dan Pembangunan Educivilia: Jurnal Pengabdian Pada Masyarakat International Journal of Educational Review, Law And Social Sciences (IJERLAS) Multidiciplinary Output Research for Actual and International Issue (Morfai Journal) Indonesian Journal of Social Science Research Journal Evaluation in Education (JEE) Indonesian Journal of Educational Development (IJED) Psyche 165 Journal Prosiding Sesiomadika Jurnal Moralita : Jurnal Pendidikan Pancasila dan Kewarganegaraan Progressive of Cognitive and Ability Polinomial : Jurnal Pendidikan Matematika Journal of Research in Science and Mathematics Education Prosiding Seminar Nasional Hasil Penelitian Sains, Teknik dan Aplikasi Industri Fakultas Teknik Universitas Lampung Educativo: Jurnal Pendidikan Intelektual : Jurnal Penelitian Dosen Akuntansi Journal of Economics, Business, Management, Accounting And Social Sciences Jurnal Pendidikan Matematika Murid : Jurnal Pemikiran Mahasiswa Agama Islam Proceeding of International Conference on Entrepreneurship (IConEnt) Gudang Jurnal Pengabdian Masyarakat Journal of Society Innovation and Development (JSID) Journal of Business Application MERDEKA: Jurnal Ilmiah Multidisiplin Hayak Bamara: Jurnal Pengabdian Masyarakat JEPENDIMAS Mosaic: Jurnal Pengabdian Kepada Masyarakat Jurnal Ilmiah Kesehatan Mandira Cendikia Jurnal Pengabdian Masyarakat Mandira Cendikia (JPKM-MC) Journal of Informatics and Advanced Computing J-CEKI International Journal of Business Law, Business Ethic, Business Communication & Green Economics (IJBGE) Journal of Economic and Leadership
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Journal : JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

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In Silico Evaluation: Bioactive Compounds in Soursop Plant (Annona muricata L.) as Caspase-3 Inhibitor for Prostate Cancer Aristokrat, Aria; Widati Aqila Rumawan, Maritsa; Amalia Hanifa, Zahra; Luthfiyah Rahmani, Syifa; Hanifah; Parameswari, Natashya; Puteri Agustina Pribadi, Alya; Lia Aulifa, Diah
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 11 No. 1 (2024): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v11i12024.1-11

Abstract

Background: Prostate cancer has become one of the leading causes of death in men. Cancer patients often seek alternative treatments apart from chemotherapy, radiation therapy, and surgery. The use of medicinal plants in both preventive and curative actions in healthcare has been widely recognized. One of the plants known to have anticancer activity is the soursop leaf (Annona muricata L.). Objective: This study was conducted to explore the potential of active compounds contained in A. muricata as drug candidates for the inhibition of caspase-3 in silico. Methods: The research began with the prediction of Lipinski's Rule of Five and ADMET properties for the compounds found in A. muricata. The prediction process was followed by pharmacophore modelling and molecular docking simulations on caspase-3 (PDB: 1NME) as the target protein and 2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid as the natural ligand using AutoDockTools 1.5.6. Results: Based on the molecular docking results, 22 test ligands were able to form bonds with the caspase-3 enzyme. The two best interactions were observed with the test ligands, Isolaureline and S-norcorydine, with binding energy values of -6.20 kcal /mol and -6.12 kcal /mol and inhibition constant values of 28.65 µM and 32.53 µM. In terms of receptor-target interactions, these two compounds also exhibited hydrogen bonding and van der Waals interactions similar to the natural ligand. Conclusion: The best bioactive compounds in A. muricata (Isolaureline and S-norcorydine) were predicted to have the ability to interact with caspase-3 and the potential to be used as prostate cancer drug candidates.
Co-Authors A. Ramadhona Ade Komariah Afdhal Yaman Afidah, Nurul Agus Lukman Hakim Agustia, Fira Al Adiah Alkhoyyath, Dliyauddin Amalia Hanifa, Zahra Amina Saramoko Amrullah, Azman Shidiq Anita Ardanata, Stevany Nike Ardiyanti, Yusi Arifin Aristokrat, Aria Ariyus Popsi Gito Arizal Hamizar Arlan Marzan Arofah, Rahnis Asma Nabilatuz Zahra Az-Zarqo, Salsabila azra alayda damayanti mardjoko Azzi, Muhamad Fahmi Basrowi Basuki, Danang Dwi Bellatama, Lisa Gustiana Benni Satria Bhisma Murti Chan, Fajri Rinaldi Dadang Irawan Darmilisani Dewi Aprilianingsih Dewi Nopita Dewi Sukmawati Dewi, Susana Diana Novita Dwi, Ervina Edi Sutanto Ega Jenurti Elfin Mardiansyah Elfiza, Rona Elsa Ernawati Nainggolan Emmywati Erfani, Sandri Ero Sukarna F.M. Arbi Febrila, Lilia Gina Fera , Mirta Fiana, Marista Fikri, Riri Ukhtul Firmansyah Fitri Alfarisa gian purwanto Giena, Vike Pebri Gunawan Djajaputra Gupi, Mayliza Hadin Hafit Rizki Meilani Haji, H Saleh Hamnah Handika, Septa Haniya Zulfiana Harni Dusri Hayati, Cucu Herlina Hermawan, Rio Hidayah, Sri IDA RAHMAWATI Isvan Taufik Jumanta Kareem, Zidan Dwi Khalfani Karmila, Wati Karvina Budiwati Apriliani Khakimah, Umi Kholilul Kholik Kusasi, Muhammad Aiman Zaidan Lestari, Widiarti Dwi Lia Aulifa, Diah Liza Efriyanti, liza Luthfiyah Rahmani, Syifa Mahroji Malahayati Rusli Bintang Malawat, Fadli Fendi Manilet, Aisa Masroni Melya Sri Ulfa Mettalia Tania Mike Mega Rahayu Milati, Hana 'Indah Miya Dewi Suprihandari moh Mohamad Syarief Abdullah Mohammad Mohammad Ali Muammar W. Maruapey Muchlis, Effie Efrida Muchlis, Effie Muchlis muhamad ari pamugkas Muhammad Akbar Muhammad Ramadani Muhammad Syarifuddin Rahman Muslikun muti'ah, Eva Myarsithawan, Putu Adi Nadya Safitri, Nadya Nasuha, Habibi Adam Nasution, Nabila Nelvia Kurnia Ningrum, Ageilta Pangesti Ningsih, Rastia Noorfallah, Ananda Noorsyifa, Gusti Nurfaiza, Najwa Nurul Fatonah Omarisa, Vera Pajriah Pangestika, Nadidah Parameswari, Natashya Puteri Agustina Pribadi, Alya Putra, Raden Farras Nadhif Panji Putri , Nurul Hilda Syani Rabiatul Adawiyah Rari Dwi, Dita Raymond Restia Christianty Reza Widiantoro Rezky Yayang Yakhamid Ridwan Risiana Risnawati Rohmah, Dilawatur Rukman Ruri Maiseptya Ruri Mayseptiasari Salma, Ratu Sandra Junianda Sauki, Ahmad Shalihah, Mar'atun shinta maryani Shofiyyah Sinta, Tunjung Bayu Siti Masitoh Siti Septiyanti Siti Yuniar Sjaiful Akbar Sri Intan Purnama Subroto, Desty Endrawati Suhita Tri Oklaini Sumardi, Hari Sumardiyono Sumayyah, Amallia Suparmi Suparmi Susanta, Agus Syahla, Mayang Effiena Tangke, Diar Muzna Tiara Kusuma Dewi, Tiara Kusuma Tripuspa, Karunia Tunjung Bayu Sinta Tunjung Bayu Sinta Uli Wildan Nuryanto Vera, Veranika Dewi Panca Hotmarito Manalu Veronica Wahyudi, Ickhsanto Wahyuni, Amelia Tri Wahyuni, Sela WAYTHERLIS APRIANI Widati Aqila Rumawan, Maritsa Yuanita FD Sidabutar Yuhan, Risni Julaeni Yuliana Hanami Zain, Zainal Abidin Zainul Hakim