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All Journal Jurnal Kesehatan Andalas Jurnal Riset Kimia Majalah Kedokteran Andalas Andalas obstetrics and gynecology journal Reswara: Jurnal Pengabdian Kepada Masyarakat Jurnal Penelitian Pendidikan, Psikologi Dan Kesehatan (J-P3K) Narra J Cermin Dunia Kedokteran Jurnal Ilmu Kesehatan Indonesia (JIKSI) Jurnal Riset Ilmiah
Dessy Arisanty
Departemen Biokimia Fakultas Kedokteran Universitas Andalas, Padang 25163, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Economics, Econometrics & Finance Education Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Medicine & Pharmacology Nursing Public Health Social Sciences Other

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Journal : Narra J

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Peptide-based drug as atherosclerosis multitarget therapy from Lytechinus variegatus spine: An in silico study Arisanty, Dessy; Khairani, Salsabila P.; Nathaniel, Kevin; Wahyudi, Dhyani P.; Kamila, Isna C.; Maharani, Malya CS.; Theodora, Eillen; Budianto, Raymond E.; Shofiy, Alifya R.; Nugraha, Ikwandi C.; Aaliyya, Zaki S.; Rahman, Awalil RK.; Ariouso, Al H.
Narra J Vol. 5 No. 2 (2025): August 2025
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v5i2.1152

Abstract

Atherosclerosis is a leading cardiovascular disease characterized by the buildup of plaques within arterial walls. The aim of this study was to investigate the potential of peptides derived from Lytechinus variegatus spines as novel therapeutic agents for atherosclerosis using an in silico approach. Key proteins involved in atherosclerosis were selected as target proteins: vascular endothelial growth factor receptor (VEGFR), protein kinase B (AKT1), epidermal growth factor receptor (EGFR), mitogen-activated protein kinase 8 (MAPK8), and endothelin-1 (ET-1). Comprehensive analysis involving ligand and protein preparation, toxicity, and allergenicity assessments, absorption, distribution, metabolism and excretion (ADME) predictions, and molecular docking were conducted to evaluate the safety, pharmacokinetic properties, binding affinity (kcal/mol), root mean square deviation (RMSD) (Å), as well as a 2D and 3D visualization. Toxicity predictions revealed that peptide 9 was non-toxic and non-allergenic, with a lethal dose 50 (LD50) of 3,000 mg/kg, indicating its safety. Peptide 9 demonstrated the most promising results, effectively inhibiting VEGFR2 (-10,90 kcal/mol), AKT1 (-10,56 kcal/mol), EGFR (-9,82 kcal/mol), MAPK8 (-9,64 kcal/mol), and ET-1 (-11,41 kcal/mol) with strong binding affinities and specificity. These interactions suggested that peptide 9 from Lytechinus variegatus spines may serve as a competitive multitarget inhibitor, offering potential multitarget therapeutic activity against atherosclerosis. Peptide 9 also had high water solubility and did not affect the concentration or excretion of other drugs or compounds, minimizing the risk of drug-drug interactions.
Co-Authors Aaliyya, Zaki S. Abdah M.D. Akim Afriani, Nita Agustian, Dede Rahman Aizah, Havina Nurul Amel Yanis Andani Eka Putra Anggiansyah Pohan Annisa Permata Sari, Annisa Permata Aprilia Susanti, Aprilia Ariesko Gunanda Rangkuti Ariouso, Al H. Asmah Rahmat Asmah Rahmat Budianto, Raymond E. Cimi Ilmiawati, Cimi Daan Khambri Dede Agustian Rahman Desmawati Desmawati Dina Arfiani Rusjdi Dwi Yulia Elizabeth Bahar Endrinaldi Erlina Rustam Erly Erly Eti Yerizel Eva Decroli Fadrian, Fadrian Fauziah Othman Hanum, Fathiya Juwita Hasnah Hasnah Hasnah, Hidayatul Havina Nurul Aizah Hirowati Ali Hirowati Ali, Hirowati Husnil Kadri Ilham Andhika Zulen Ilmiawati, Ilmiawati Kamila, Isna C. Khairani, Salsabila P. Larasati, Aulia Sepriadina Lim, Nurul Naimah binti Muhammad Khairuddin Linosefa Linosefa Magza, Dekasih Tria Maharani, Malya CS. Malinda Meinapuri Meilisa Rahmawati Mulfa Satria Asnel Nadya Mirenda Putri Nathaniel, Kevin Nelmi Silvia Noverika Windasari Noza Hilbertina Nugraha, Ikwandi C. Nurhayati, Nurhayati Nurmawaty - Pratama, Fajri Rahendra Pratama, Fajri Rahendra Puti Anggun Sari Rahmaddiansyah, Refa Rahmadian, Rizki Rahman, Awalil RK. Rahmatini . Rahmawati, Meilisa Rahmi, Wahida Rauza Sukma Rita Refa Rahmaddiansyah Refa Rahmaddiansyah Risviani, Darayani Rizki Rahmadian Rusti, Sukarsi Salsabila, Amilia Salsabila, Amilia Sari, Annisa Permata Shofiy, Alifya R. Sofia Mubarika Sofia Mubarika Haryana Suhaida. M. Jalil Sukarsi Rusti Susanti, Aprilia Syakira, Hasya Syakira, Hasya Theodora, Eillen Tofrizal Tofrizal Tofrizal Tri Anggraini, Fika Tyas, Syanindhita Wikanthining Ulya Uti Fasrini Utama, Bobby Indra Vella Amalia Wahida Rahmi Wahyudi, Dhyani P. Wirsma Arif Harahap Wiwi Pertiwi Yanwirasti - Yanwirasti - Yulia, Dwi Yuniar Lestari Yustini Alioes Zolkapli Eshak Zolkapli Eshak