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All Journal Indonesian Journal of Pharmaceutical Science and Technology Jurnal Penelitian Pendidikan IPA (JPPIPA) Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) Media Farmasi PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Journal of Pharmaceutical and Medicinal Sciences Jurnal Mandala Pharmacon Indonesia Jurnal Ilmiah Farmasi Farmasyifa Jurnal Pengabdian Kefarmasian Jurnal Abdi Masyarakat Kita Jurnal Pengabdian Mandiri Borneo Journal of Pharmacy E-Amal: Jurnal Pengabdian Kepada Masyarakat Jurnal Sains dan Kesehatan
Marwati Marwati
Departemen Biologi Farmasi, Fakultas Ilmu Kesehatan, Universitas Almarisah Madani
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Medicine & Pharmacology Physics Public Health Social Sciences Other

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In Silico Evaluation of the Glioma Activity of Reported Compounds from the Extract Rhodomyrtus tomentosa (Aiton) Hassk.) Marwati, Marwati; Alam, Gemini; Yulianty, Risfah; Sami, Fitriyanti J.; Nur, Syamsu; Nursamsiar; Rifai, Yusnita
Jurnal Penelitian Pendidikan IPA Vol 11 No 6 (2025): June
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v11i6.10809

Abstract

The plant Rhodomyrtus tomentosa is empirically treated and can be developed in vitro as an anticancer. To see the interaction and evaluate the compound of Rhodomyrtus tomentosa as glioma inhibition, especially on Smoothened receptor by using the in silico. 44 compounds from Rhodomyrtus tomentosa leaf plants obtained from previous studies and native ligands and target proteins were generated through PubChem and RSCB protein database. In silico analysis was performed using various, absorption, distribution, toxicity prediction, and molecular tethering of compounds to smoothened (SMO) target proteins. Drug similarity showed that most of the compounds conformed to Lipinski's rule. The absorption and Distribution analysis of the compounds for each parameter gave different pharmacokinetic profiles according to the physicochemical properties of the compounds. Quercetin, β-sitosterol, and Quercetrin are prediction mutagenic, and Rhodomyrtoxin C and β-amyrenonol compounds are What follows is a prediction genotoxic carcinogenic. The results of docking analysis showed that the leaf compounds of Rhodomyrtus tomentosa leaf compounds that can interact with SMO receptors with the best interaction shown by compound 13 (Rhodomyrtoxin C) with a free bond energy of -9.29 kcal/mol, Quercitrin of-12.72 kcal/mol, 2-(4-hydroxyphenyl)acetic acid -14.24 kcal/mol and β-Sitosterol of -11,61 kcal/mol and has the same key amino acid residues as the native ligand LY2940680 (4-fluro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazine-1yl]piperidin-4-yl} 2 (trifluoromethyl) benzamide )namely Arg400, Asp473 and Glu518. His470, and Asn521. Specific compounds from Rhodomyrtus tomentosa are predicted to be developed as candidates for glioma inhibitors predicted to have the same mechanism of action as Smoothened inhibitors and further research is needed.
Co-Authors Abd. Halim Umar Agung Giri Samudra Akbar Awaluddin Alfad Fadri Alfat Fadri Alfat Fadri Alfrida Tandilolo Alfrita Melvan Tumiwa Amriani Sapra Andi Anggriani Andi Nur Aisyah Andi Nur Aisyah Asril Asril Burhan Asril Burhan Azwar Muhammad Burhanuddin Taebe Burhanuddin Taebe Dewi Purwaningsih Dewi Purwaningsih Ega Lilingan Endang Lukitaningsih Fadillah Maryam Fitriyanti Jumaetri Fitriyanti Jumaetri Sami Fitriyanti Jumaetri Sami Gemini Alam Hamdayani L. A Imrawati Imrawati Indah Indah Ismail Ismail Jumarni Jumarni Kasmawati, Henny Khaeruddin Khairi, Nur Khairrudin Khairrudin Khairuddin Khairuddin Margaretha Margaretha Maria Ulfa Maulita Indrisari, Maulita Megawati Megawati Meilisa Palembangan Melkisedek D. Tiboyong Michrun Michrun Mirnawati Salampe Muh Azwar AR Muh. Azwar Muhammad Azwar Noer Fauziah Noer Fauziah Rahman Nur Azizah Syahrana Nur Rahma Rumata Nur Syam Hidayah Rahma Ismail Nursamsiar Nursamsiar Nursamsiar Nurul Hikma Nurul Hikma Nurzadrina Wahyuddin Rahmad Aksa Reny Syahruni Risfah Yulianty Rizky Dharmayanti Rumiyati Rumiyati Sami, Fitriyanti J. Sitti Rahimah Sukriani Kursia Suwahyuni Mus Syamsu Nur Syamsu Nur, Syamsu Tuti Handayani Tuti Handayani Wahyu Hendrarti Wahyuddin Wahyuddin Wahyuddin Yusnita Rifai, Yusnita