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Journal : Jurnal Sains dan Kesehatan

An In Silico Evaluation of the Anti-Wrinkling Potential of Certain Peptides in Relation to the Catalytic Domain of Matrix Metalloproteinase-1 Rahmadani, Agung; Sukemi, Sukemi; Tasya, Indriana; Olii, Nova Yunita Putri; Ridwansyah, Muhammad; Turista, Dora Dayu Rahma; Arifian, Hanggara
Jurnal Sains dan Kesehatan Vol. 7 No. 1 (2025): J. Sains Kes.
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jsk.v7i1.2518

Abstract

Skin wrinkles are caused by the cleavage of collagen fibers by the major collagenase enzyme matrix metalloproteinase-1 (MMP-1). Peptide-based matrix metalloproteinase-1 inhibitors present a potential new therapeutic strategy to prevent MMP-1-mediated collagenolysis, which is induced by UV-induced MMP-1 overexpression. This in silico study investigated the MMP-1 inhibitory capacity of carefully selected and well-designed hexapeptides. A molecular docking method was employed to screen 14 hexapeptides. The target ligands were observed to interact non-covalently. The LYYYGP peptide sequence was found to form three hydrogen bonds (H-bonds) with amino acid (AA) residues in the catalytic domain of MMP-1. Additionally, hydrophobic interactions between these peptides and the protein were observed at certain sites. The maximum binding affinity was observed for the LYYYGP sequence (binding free energy, ?G = -9.00 kcal/mol). These sequences exhibited binding energies comparable to those of the LSYYGP sequence (-8.48 kcal/mol) and YSGYYP sequence (-8.27 kcal/mol). The YSGYGY sequence demonstrated a lower binding affinity for the target receptor, with ?G = -5.59 kcal/mol. This study indicates that specific peptide sequence components are crucial for forming hydrogen bonds that link proteins to peptides. Further investigation, encompassing chemical synthesis and laboratory experimentation, is requisite to substantiate the efficacy of the two hexapeptides.
Co-Authors Abdullah, Muhammad Syafa'at Adi Sofyan Ansori, Muhammad Ahmad Erfan Khulaifi Aini, Nur Sofiatul Akhmad Akhmad Aldeva Ilhami Amaq Fadholly Andyanita Hanif Hermawati Anis Murniati Anis Tri Fransiska Anwar, Yaskinul Arif Nur Muhammad Ansori Arifian, Hanggara Ayu Ramayanti Ayuningtyas, Tri Riska Ragil Azzahra, Salma Bagyo Yanuwiadi Budi Yuwono Chalies Diah Pratiwi DEWI RAHMAWATI Dhea Kharisma, Viol Didimus Tanah Boleng Dings, Tim Godefridus Antonius Eadvin Rosrinda Eka Puspitasari Eka Puspitasari Eka Puspitasari, Eka Elsje Theodora Maasawet Emma Rizmanda Evi Tunjung Fitriani Fanny Kurnanda Razvi Fatchur Rohman Fitriani, Dessy Gazali, Zulkarnain Gisky Andria Putra Hafidhoh, Wadyanur Harrits, Reynaldi Ferdhani Herliani Herliani Indah Rahmawati Indah Rohmawati INDAH ROHMAWATI Jailani Jailani Jakhmola, Vikash Kharisma, Viol Dhea Kurniawati, Zenia Lufti Lathifah, Qurrotu A'yunin Lathifah, Qurrotu A’yunin Lia Yosaneri Wina Nurtias Ludfiana Azizah Lumowa, Sonja Verra Tinneke Mahfuzah, Midiati Makkadafi, Suparno Putera Masitah - Masitah Masitah Miftah Farid Muhammad Ridwansyah Muhammad Zulhariadi Murtadlo, Ahmad Affan Ali Nadia Pratiwi Nala Ulya Nanda, Muhammad Arya Nasution, Ruqoyyah Niki Dian Permana P Novian, Dede Rival Nugraha, Samuel Eka Nurhayati Zein Oktavia, Aulia Ayu Olii, Nova Yunita Putri Pratama, Aldi Prita Asminitya Sari Purbianti, Rita Qurrotu A’yunin Lathifah Rabbani, Muhammad Abid Rahadian Zainul Rahmadani, Agung Rambitan, Vandalita MM. rapsan rapsan Rasyadan Taufiq Probojati Reflinur Reflinur Reflinur Riska Miftakhul Jannah Rosinta, Rosinta Sapan, Angellya Kristin Sari, Octaviani Serena, Nelda Anasthasia Setiawan, Volta Kellik Siti Hawa Siti Nuraisyah Sofian, Roza Adnan Sonja Verra Tinneke Lumowa Sonja Verra Tinneke Lumowa Sri Purwati, Sri Suci habibah Sukemi Sukemi Tacharina, Martia Rani Tamam, Muhammad Badrut Tasya, Indriana Teguh Pribadi Ullah, Md. Emdad Vandalita Maria Magdalena Rambitan Viol Dhea Kharisma Wati, Puji Setia Wicaksono, Adhityo Widi Sunaryo Widyananda, Muhammad Hermawan Widyanur Hafidhoh Wina Nurtias, Lia Yosaneri Yaskinul Anwar Yoga Yuniadi Yulanda Antonius Zenia Lutfi Kurniawati Zenia Lutfi Kurniawati Zenia Lutfi Kurniawati, Zenia Lutfi Zulfahmi Zulfahmi