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All Journal Journal of Food and Pharmaceutical Science Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Interest : Jurnal Ilmu Kesehatan Jurnal Ilmiah Pangabdhi JURNAL MANAJEMEN DAN PELAYANAN FARMASI (Journal of Management and Pharmacy Practice) Jurnal Pengabdian kepada Masyarakat Nusantara Makara Journal of Science Jurnal Bakti Untuk Negeri Jurnal Farmasi Klinik dan Sains Duta Pharma Journal Jurnal Hukum Inconcreto IIJSE Journal of Food and Pharmaceutical Sciences Borneo Journal of Pharmacy Jurnal Analisis Bisnis Ekonomi Ruang Pengabdian: Jurnal Pengabdian kepada Masyarakat
Dwi Utami
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Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Public Health Social Sciences Other

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Journal : Makara Journal of Science

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Network Pharmacology and Molecular Docking Analysis of Nephelium lappaceum (Rambutan) Compounds as Potential Alternative Treatments for Lung Cancer Utami, Dwi; Farid, Muhammad; Putri, Rachma Greta Perdana
Makara Journal of Science Vol. 29, No. 3
Publisher : UI Scholars Hub

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Abstract

Introduction: Lung cancer is characterized by high mortality rates and poor prognosis, further requiring alternative therapies owing to the adverse effects of conventional chemotherapy. Rambutan (Nephelium lappaceum L.) has antimicrobial, antiproliferative, and antioxidant properties and can cure cancer. Method: Compounds from rambutan peel were identified through PubChem and analyzed for physicochemical properties using SwissADME. Target proteins were identified using SuperPred and compared with lung cancer–related proteins from GeneCards via Venny. Protein interactions were examined and visualized using STRING and Cytoscape, respectively. Protein activity was analyzed using WebGestalt, and docking simulations were performed using Autodock 4.2.6. Result: Physicochemical analysis of 10 active rambutan compounds via SwissADME showed favorable properties based on Lipinski’s rule, suggesting good oral bioavailability. In total, 276 specific target proteins were related to lung cancer. Cytoscape visualized the 53 core proteins implicated in lung cancer. Gene ontology and Kyoto Encyclopedia of Genes and Genomes analyses indicated that rambutan compounds are active in lung cancer pathways, particularly nonsmall cell lung cancer. The analysis identified the top 10 interacting proteins STAT3 and CASP3 had the highest interaction value of 28, followed by PIK3CA and NFKB1 at 22, MAPK3, PIK3R1, PTGS2, GRB2, MAPK1, and CASP8. Per docking simulations, 1,2-diphenylethane-1-ol was the highest affinity to STAT3 (−4.78) and CASP3 (−6.75). Conclusion: Rambutan peel compounds have remarkable anticancer potential, particularly with high affinity for STAT3 and CASP3 proteins, based on in silico molecular docking studies.
Co-Authors Adam M. Ramadhan Aini Nurul Akrom, Akrom Amsariah, Siti Andika Andika Antonius, Rosanio Ardiyanto, Restu Atmoko, Fatoni Dwi Aulia, Zhafira Nur Candradewi, Susan Fitria Citra Ariani Edityaningrum, Citra Dyah Aryani Perwitasari Fajri, Cholida Nur Fitri Nur Mahmudah Fitriyati, Laeli Hadiani, Rr. Rintis Hartanti, Metty Hartati, Meity Hendy Ristiono, Hendy Hidayah, Astika Nurul Hidayat, Yayan Kintoko Kintoko Kurniasari, Ariyani Etik Kurniawan, Ahmad Aldi Laela Hayu Nurani Muhammad Farid Muhammad Ryan Radix Rahardhian Muji Mranani Murdi, Habib Basyanur Mustofa Ahda Nafiah, Mufidatun Nashihah, Siti Nurkhasanah Mahfudh Pertiwi , Deasy Vanda Putri, Rachma Greta Perdana Qulubi, Hadziq Rafii, Muhammad Ramadhan, Muhammad Marwan Rohma, Siti Sapto Yuliani Sardjiman Sardjiman Sari, Dewi Nirmala Sari, Eny Maulita Purnama Siti Rofida Sultan, Siti Fatimah Suryo Putro, Nur Fitriansyah Susilowati Susilowati Tri Sunaryo Wahyu Widyaningsih Woro Supadmi Yeni Tutu Rohimah yusnita, nancy