Nugraha, Roni, Kurniawan, Fahmi, Abdullah, Asadatun, Lopata, Andreas L., and Ruethers, Thimo (2024) Antihypertensive and Antidiabetic Drug Candidates from Milkfish (Chanos chanos)—Identification and Characterization through an Integrated Bioinformatic Approach. Foods, 13 (16). 2594.

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Abstract

Integrated bioinformatics tools have created more efficient and robust methods to overcome in vitro challenges and have been widely utilized for the investigation of food proteins and the generation of peptide sequences. This study aimed to analyze the physicochemical properties and bioactivities of novel peptides derived from hydrolyzed milkfish () protein sequences and to discover their potential angiotensin-converting enzyme (ACE)- and dipeptidyl peptidase-4 (DPPIV)-inhibitory activities using machine learning-based tools, including BIOPEP-UWM, PeptideRanker, and the molecular docking software HADDOCK 2.4. Nine and three peptides were predicted to have ACE- and DPPIV-inhibitory activities, respectively. The DPPIV-inhibitory peptides were predicted to inhibit the compound with no known specific mode. Meanwhile, two tetrapeptides (MVWH and PPPS) were predicted to possess a competitive mode of ACE inhibition by directly binding to the tetra-coordinated Zn ion. Among all nine discovered ACE-inhibitory peptides, only the PPPS peptide satisfied the drug-likeness analysis requirements with no violations of the Lipinski rule of five and should be further investigated in vitro.

Item ID:	83952
Item Type:	Article (Research - C1)
ISSN:	2304-8158
Copyright Information:	© 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Date Deposited:	30 Oct 2024 04:13
FoR Codes:	30 AGRICULTURAL, VETERINARY AND FOOD SCIENCES > 3006 Food sciences > 300605 Food safety, traceability, certification and authenticity @ 30% 32 BIOMEDICAL AND CLINICAL SCIENCES > 3204 Immunology > 320499 Immunology not elsewhere classified @ 20% 32 BIOMEDICAL AND CLINICAL SCIENCES > 3205 Medical biochemistry and metabolomics > 320506 Medical biochemistry - proteins and peptides (incl. medical proteomics) @ 50%
SEO Codes:	20 HEALTH > 2001 Clinical health > 200105 Treatment of human diseases and conditions @ 50% 10 ANIMAL PRODUCTION AND ANIMAL PRIMARY PRODUCTS > 1099 Other animal production and animal primary products > 109903 Fish product traceability and quality assurance @ 30% 28 EXPANDING KNOWLEDGE > 2801 Expanding knowledge > 280101 Expanding knowledge in the agricultural, food and veterinary sciences @ 20%
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