Cargando…

Identification of tuna protein-derived peptides as potent SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation

The present study aimed to identify potential SARS-CoV-2 inhibitory peptides from tuna protein by virtual screening. The molecular docking was performed to elicit the interaction mechanism between targets (M(pro) and ACE2) and peptides. As a result, a potential antiviral peptide EEAGGATAAQIEM (E-M)...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yu, Zhipeng, Kan, Ruotong, Ji, Huizhuo, Wu, Sijia, Zhao, Wenzhu, Shuian, David, Liu, Jingbo, Li, Jianrong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7553880/ https://www.ncbi.nlm.nih.gov/pubmed/33092925 http://dx.doi.org/10.1016/j.foodchem.2020.128366

Ejemplares similares

Identification of lactoferrin-derived peptides as potential inhibitors against the main protease of SARS-CoV-2
por: Zhao, Wenzhu, et al.
Publicado: (2022)

Interaction mechanism of three egg protein derived ACE inhibitory tri-peptides and DPPC membrane using FS, FTIR, and DSC studies
por: Ji, Huizhuo, et al.
Publicado: (2022)

Identification of nut protein-derived peptides against SARS-CoV-2 spike protein and main protease
por: Zhao, Wenzhu, et al.
Publicado: (2021)

Molecular dynamics simulation analysis of the beta amyloid peptide with docked inhibitors
por: Aloufi, Bandar, et al.
Publicado: (2022)

Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations
por: Oubahmane, Mehdi, et al.
Publicado: (2023)

Molecular docking simulation studies on potent butyrylcholinesterase inhibitors obtained from microbial transformation of dihydrotestosterone
por: Zafar, Salman, et al.
Publicado: (2013)

QSAR and molecular docking studies on designing potent inhibitors of SARS-CoVs main protease
por: Song, Fucheng, et al.
Publicado: (2023)

Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
por: Jairajpuri, Deeba Shamim, et al.
Publicado: (2021)

Proposal of Potent Inhibitors for a Bacterial Cell Division Protein FtsZ: Molecular Simulations Based on Molecular Docking and ab Initio Molecular Orbital Calculations
por: Yamamoto, Shohei, et al.
Publicado: (2020)

Preparation, Identification, Molecular Docking Study and Protective Function on HUVECs of Novel ACE Inhibitory Peptides from Protein Hydrolysate of Skipjack Tuna Muscle
por: Zheng, Shuo-Lei, et al.
Publicado: (2022)

DFT investigations and molecular docking as potent inhibitors of SARS-CoV-2 main protease of 4-phenylpyrimidine
por: Celik, Sibel
Publicado: (2023)

Identification of natural compounds as SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation
por: Han, Tiantian, et al.
Publicado: (2023)

Pharmacophore feature-based virtual screening for finding potent GSK-3 inhibitors using molecular docking and dynamics simulations
por: Chauhan, Navneet, et al.
Publicado: (2016)

Response Surface Study on Molecular Docking Simulations of Citalopram and Donepezil as Potent CNS Drugs
por: Alikhani, Radin, et al.
Publicado: (2021)

Screening of commercial cyclic peptide as inhibitor NS5 methyltransferase of Dengue virus through Molecular Docking and Molecular Dynamics Simulation
por: Tambunan, Usman Sumo Friend, et al.
Publicado: (2014)

Monosubstituted Acetophenone Thiosemicarbazones as Potent Inhibitors of Tyrosinase: Synthesis, Inhibitory Studies, and Molecular Docking
por: Hałdys, Katarzyna, et al.
Publicado: (2021)

An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors
por: Xie, Huiding, et al.
Publicado: (2015)

Screening of Potential Breast Cancer Inhibitors through Molecular Docking and Molecular Dynamics Simulation
por: Pandi, Sangavi, et al.
Publicado: (2022)

Computer-Aided Designing Peptide Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase Combined Molecular Docking and Molecular Dynamics Simulation
por: Cui, Jing, et al.
Publicado: (2023)

Biologically Potent Benzimidazole-Based-Substituted Benzaldehyde Derivatives as Potent Inhibitors for Alzheimer’s Disease along with Molecular Docking Study
por: Adalat, Bushra, et al.
Publicado: (2023)

Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations
por: Lazniewski, Michal, et al.
Publicado: (2022)

Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2
por: Rampogu, Shailima, et al.
Publicado: (2022)

Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations
por: Masand, Vijay H., et al.
Publicado: (2021)

In vivo efficacy and molecular docking of designed peptide that exhibits potent antipneumococcal activity and synergises in combination with penicillin
por: Le, Cheng-Foh, et al.
Publicado: (2015)

Synthesis, biological evaluation and molecular docking analysis of vaniline–benzylidenehydrazine hybrids as potent tyrosinase inhibitors
por: Iraji, Aida, et al.
Publicado: (2020)

Molecular Docking of Aromatase Inhibitors
por: Suvannang, Naravut, et al.
Publicado: (2011)

Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study
por: Abu-Aisheh, Marwa N., et al.
Publicado: (2019)

Molecular Dockings and Molecular Dynamics Simulations Reveal the Potency of Different Inhibitors against Xanthine Oxidase
por: Pan, Yue, et al.
Publicado: (2021)

Searching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches
por: Cabrera, Nicolás, et al.
Publicado: (2022)

In search of RdRp and Mpro inhibitors against SARS CoV-2: Molecular docking, molecular dynamic simulations and ADMET analysis
por: Gajjar, Normi D., et al.
Publicado: (2021)

Benchmarking of different molecular docking methods for protein-peptide docking
por: Agrawal, Piyush, et al.
Publicado: (2019)

Discovery of Novel and Highly Potent Inhibitors of SARS CoV-2 Papain-Like Protease Through Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, Molecular Dynamics Simulations, and Biological Evaluation
por: Tian, Xiaoyan, et al.
Publicado: (2022)

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
por: Cardoso, Wesley B., et al.
Publicado: (2021)

In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation
por: Hossain, Rajib, et al.
Publicado: (2021)

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies
por: John, Shalini, et al.
Publicado: (2011)

Angular Phenozaxine Ethers as Potent Multi-microbial Targets Inhibitors: Design, Synthesis, and Molecular Docking Studies
por: Ezeokonkwo, Mercy A., et al.
Publicado: (2017)

Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
por: Zaman, Khalid, et al.
Publicado: (2019)

Design, synthesis, and molecular docking studies of diphenylquinoxaline-6-carbohydrazide hybrids as potent α-glucosidase inhibitors
por: Pedrood, Keyvan, et al.
Publicado: (2022)

Potent Alkaline Phosphatase Inhibitors, Pyrazolo-Oxothiazolidines: Synthesis, Biological Evaluation, Molecular Docking, and Kinetic Studies
por: Hosseini Nasab, Narges, et al.
Publicado: (2022)

In-vitro high-throughput library screening—Kinetics and molecular docking studies of potent inhibitors of α-glucosidase
por: Ali, Majid, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_8eass06t5n4m7p5q6r2nhcj86d