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All Journal MEDIA PETERNAKAN - Journal of Animal Science and Technology Jurnal Sain Veteriner Buletin Peternakan Jurnal Aplikasi Teknologi Pangan Molekul: Jurnal Ilmiah Kimia Indonesian Journal of Interdisciplinary Islamic Studies (IJIIS)
Tridjoko Wisnu Murti
Faculty Of Animal Science Universitas Gadjah Mada
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Economics, Econometrics & Finance Education Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Social Sciences Veterinary Other

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Journal : Molekul: Jurnal Ilmiah Kimia

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The Exploration of Bioactive Peptides that Docked to SARS-CoV-2 Spike Protein from Goats’ Milk Beta-Casein by In Silico Widodo, Hermawan Setyo; Murti, Tridjoko Wisnu; Agus, Ali; Pertiwiningrum, Ambar
Molekul Vol 18 No 3 (2023)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2023.18.3.7297

Abstract

Beta-casein in milk is known to be a bioactive peptide producer because of its amino acid sequence. Bioactive peptides have prospected molecules that can adhere with SARS-CoV-2 spike protein, so they can inhibit the virus from hooking up with human cell receptor protein. The research is aimed to find any peptides from goat’s milk beta-casein that are prospective candidates as SARS-CoV-2 spike protein inhibitors. Goat’s milk beta-casein was simulated as being digested by the digestive tract. Pepsin, trypsin, and chymotrypsin enzymes cut the beta-casein amino acids sequence into small peptides. Then, their bioavailability was predicted by Lipinski’s Rules of 5 (Ro5), any most fitted peptides to the rules will be simulated to dock to SARS-CoV2 spike protein besides Curcumin as the control ligand. Peptides with the best bind activity with the spike protein will be selected as inhibitor candidates. Peptide QPK is selected as a SARS-CoV-2 inhibitor candidate because it has better affinity energy than Curcumin or other selected peptides.
Co-Authors Adiarto Adiarto Ali Agus Ali Agus Ambar Pertiwiningrum B. Rustamadji Budi Prasetyo Widyobroto Budi Prasetyo Widyobroto Eni Robiyati F. Ramadhani Fauzuna Naufal Wijanarko Fibri, Dwi Larasatie Nur H. L. Jundi Irkham Widiyono Kelviano Muqit Muhlisin Muhlisin Nugraha, Widitya Tri Nur Laili Ma'rufah Nurliyani Nurliyani Pradana, Mahendra Wahyu Eka Sarmin Sarmin Sulvia Dwi Astuti Widodo Widodo Widodo, Hermawan Setyo Wijanarko, Fauzuna Naufal Y. Y. Suranindyah Yanuartono Yanuartono Yuny Erwanto Yustina Yuni Surandiyah