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Jamsari Jamsari
Universitas Andalas
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In silico analysis of Arbacia lixula-derived peptides and plasmid construction for recombinant anti-aging therapies Yenny, Satya W.; Jamsari, Jamsari; Hazmi, Auliya A.; Cuandra, Kevin N.; Hanifah, Wafiq; Yahono, Angela S.; Wahyudi, Dhyani P.; Buana, Gherriandi R.; Rahman, Awalil RK.; Maharani, Annisa D.; Firjatullah, Muhammad F.; Maulana, Rafi; Prayogi, Norbertus M.; Tristan, Christopher D.
Narra J Vol. 4 No. 3 (2024): December 2024
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v4i3.1283

Abstract

Skin aging is one of the degenerative processes influenced by tyrosinase, elastase, collagenase, hyaluronidase, and matrix metalloproteinase-9 (MMP9) activity. One promising avenue for discovering antiaging therapeutics is the peptides from the Arbacia lixula spine. The aim of this study was to explore the potential of peptides from A. lixula spine as a multitarget inhibitor for recombinant antiaging therapies through in silico approaches. The crystal structure of peptides previously identified in A. lixula spine was visualized using the UCSF Chimera. The protein data bank (PDB) database was used to obtain the crystal structures of protein targets. The webservers Innovagen, AllerTop, and ToxinPred were utilized to predict the peptide's water solubility, toxicity, and allergenicity. MOE application was used to prepare all ligands and proteins, molecular docking, and visualization. Molecular dynamics simulations were carried out on the protein-ligand complexes on Yasara Dynamics application. The Benchling website was used to perform virtual electrophoresis and reconstruct the recombinant plasmid (Psb1c3). Based on the molecular docking results, peptide REGSPDLLE has the potential as a multitarget inhibitor of tyrosinase (-9.07 kcal/mol), hyaluronidase (-10.57 kcal/mol), elastase (-9.32 kcal/mol), collagenase (-10.57 kcal/mol), and MMP9 (-10.43 kcal/mol). Peptide REGSPDLLE was selected due to its strong binding affinity on the active site of each target protein and exhibits non-toxic, non-allergenic, and good water-soluble as indicated by Support Vector Machine score <0. Molecular dynamics simulations confirmed stable interactions with receptor proteins. Peptide REGSPDLLE was successfully inserted into the recombinant pSB1C3 plasmid, confirmed by virtual electrophoresis with bands at ~2000 bp and ~150 bp. Further in vitro and in vivo studies are necessary to verify the anti-aging efficacy of peptide REGSPDLLE.
Co-Authors -, Urnemi -, Vovien . Dachryanus Abdi Dharma Achmad Noerkhaerin Putra Adrial Adrial, Adrial Afriwardi Afriwardi Agustian Agustian Ahmad Denian Ali Rahmad Ali Rahmat Aliya, Lisana Shiddiqin Aliya, Lisana Shidiqqin Alvarino Alvarino Alvarino Ananda, Abi Awfa Rahman Andani Eka Putra Andika Ade Saputra Arif Sardi Armaini - Arni Amir Arnim Arnim Asman Manaf Azhar, Minda Azmi Dhalimi Buana, Gherriandi R. Cuandra, Kevin N. Dachryanus, Dachryanus Delmi Sulastri DESSY NATALIA Dian Pertiwi Djong Hon Tjong E. Y. Rahman E. Y. Rahman Efrida Efrida ekawati, fitri elara resigia Elly Syafriani Elmatris Sy Elvi Zuriyani ELVI ZURIYANI Endang Purwati RN Endrinaldi , Endrinaldi Eryati Darwin Eryati Darwin Eryka Okta Juanty Eryka Okta Juanty FA Febria Fatchiyah Fatchiyah Febiona, Keysha Putri Febria, FA Femy Riwany Firjatullah, Muhammad F. Gumilar, Erry Gusmawartati Gusmawartati Hamda Fauza Hanifah, Wafiq Hardisman Hasbi Al Huda Hasibuan, Imron Martua Hazmi, Auliya A. Herviyanti Herviyanti Ida Parwati Ifan Aulia Candra Irawati Chaniago Irfan Suliansyah ISHAK ISHAK MANTI Ishak Manti Ishak Manti Istino Ferita Jeanne Venora Julizar Julizar Jumsu Trisno Karmia, Hudila Rifa Lidya Sari Utami Lily Syukriani Lipoeto NI Liza Aulia Yusfi Maharani, Annisa D. Maulana, Rafi Meisilva Erona Meisilva Erona S Minda Azhar Mirnawati Mirnawati ML Edy Parwanto Mochammad Imron Awalludin Muhamad Irsyad Murdaningsih H. Karmana N Nasir N Nurhidayat N Nurhidayat, N Nasril Nasir Nasril Nasir Nasrul Zubir Natalia, Dessy Nefilinda Nefilinda Nefilinda Nefilinda Nelson, Nelvianti Netty Suharti Ningsih, Azma Risilvia Noraziyah Abd Aziz Shamsudin Nur Afrainin Syah Nurainas Nurainas Nursyafi, Fauzan Syarif Obel Obel Obel, Obel Prayogi, Norbertus M. Putra, Andika Chandra Rachmad Hersi Martinsyah Rahmad, Ali Rahman, Awalil RK. Rahmi Handayani Rahmi Kamelia Ramadhan, Nugraha Renfiyeni Reni Koja Respati, Aditya Nugraha Retno Ariza Soeprihatini Soemarwoto Rhenly Danis Rika Despica Rika Despica Rosadi, Firsta Ninda Roslaili Rasyid Roza Yunita Rusfidra rusfidra Sahrul Utama Saibi, Ihsan R. A. Saipul Sihotang Salma Salma Salma Salma Sanusi Ibrahim Sarbaini Sarbaini Sartika, Diza Selvia Dewi Pohan Seswita, Seswita Silvia Permata Sari Slamet Rianto SRI HENDRASTUTI HIDAYAT Sumaryati Syukur Sumaryati Syukur Suswita, Rini Syamsurizal Syamsurizal Syazili Mustofa Tika Runifah Trimuri Habazar TRIMURTI HABAZAR Tristan, Christopher D. Urnemi - Urnemi Urnemi V. Maslami Vovien - Wahyudi, Dhyani P. Wardi, Epi Supri Wawan Abdullah Setiawan Winda Purnama Sari Winda Purnama Sari Y Heryandi Y. Marlida Y. S. Nur Yahono, Angela S. Yanwirasti Yanwirasti Yanwirasti Yenny, Satya W. Yuniar Lestari Yurnalis Yurnalis Yusrawati Yusrawati Yustini Alioes ZK Abdurahman Baizal Zulkarnain Chaidir