Probing the competitive inhibitor efficacy of frog-skin alpha helical AMPs identified against ACE2 binding to SARS-CoV-2 S1 spike protein as therapeutic scaffold to prevent COVID-19
出版年份 2022 全文链接
标题
Probing the competitive inhibitor efficacy of frog-skin alpha helical AMPs identified against ACE2 binding to SARS-CoV-2 S1 spike protein as therapeutic scaffold to prevent COVID-19
作者
关键词
-
出版物
JOURNAL OF MOLECULAR MODELING
Volume 28, Issue 5, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2022-04-24
DOI
10.1007/s00894-022-05117-8
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Could Dermaseptin Analogue be a Competitive Inhibitor for ACE2 Towards Binding with Viral Spike Protein Causing COVID19?: Computational Investigation
- (2021) P. Chandra Sekar et al. International Journal of Peptide Research and Therapeutics
- Unravelling the molecular effect of ocellatin-1, F1, K1 and S1, the frog-skin antimicrobial peptides to enhance its therapeutics—quantum and molecular mechanical approaches
- (2021) P. Chandra Sekar et al. JOURNAL OF MOLECULAR MODELING
- In Silico Therapeutic Peptide Design Against Pathogenic Domain Swapped Human Cystatin C Dimer
- (2021) G. Chandrasekhar et al. International Journal of Peptide Research and Therapeutics
- A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication
- (2021) Shin-ichiro Hattori et al. Nature Communications
- Hydrophobic Residues Confer the Helicity and Membrane Permeability of Ocellatin-1 Antimicrobial Peptide Scaffold Towards Therapeutics
- (2021) P. Chandra Sekar et al. International Journal of Peptide Research and Therapeutics
- Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation
- (2020) Jinan Wang et al. BIOPHYSICAL JOURNAL
- A new coronavirus associated with human respiratory disease in China
- (2020) Fan Wu et al. NATURE
- Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation
- (2020) Daniel Wrapp et al. SCIENCE
- What Is Special about Aromatic–Aromatic Interactions? Significant Attraction at Large Horizontal Displacement
- (2020) Dragan B. Ninković et al. ACS Central Science
- Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV-2
- (2020) Yanxiao Han et al. ACS Nano
- Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2
- (2020) Qihui Wang et al. CELL
- Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor
- (2020) Jun Lan et al. NATURE
- A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2
- (2020) Yan Wu et al. SCIENCE
- Design of a Multiepitope-Based Peptide Vaccine against the E Protein of Human COVID-19: An Immunoinformatics Approach
- (2020) Miyssa I. Abdelmageed et al. Biomed Research International
- Structural Basis of the SARS-CoV-2/SARS-CoV Receptor Binding and Small-Molecule Blockers as Potential Therapeutics
- (2020) Hariharan Sivaraman et al. Annual Review of Pharmacology and Toxicology
- Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions
- (2020) Yingjie Wang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Identification of a Potential Peptide Inhibitor of SARS-CoV-2 Targeting its Entry into the Host Cells
- (2020) Mirza S. Baig et al. DRUGS IN R&D
- ACE2, Much More Than Just a Receptor for SARS-COV-2
- (2020) Lobelia Samavati et al. Frontiers in Cellular and Infection Microbiology
- COVID-19 infection: Origin, transmission, and characteristics of human coronaviruses
- (2020) Muhammad Adnan Shereen et al. Journal of Advanced Research
- Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins
- (2020) Marina Macchiagodena et al. ACS Omega
- Deciphering collaborative sidechain motions in proteins during molecular dynamics simulations
- (2020) Bruck Taddese et al. Scientific Reports
- Neutralizing antibodies targeting SARS-CoV-2 spike protein
- (2020) Shi Xiaojie et al. Stem Cell Research
- Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin
- (2019) Juan Frau et al. MOLECULES
- Molecular mechanics and quantum chemical calculations unveil the combating effect of baicalein on human islet amyloid polypeptide aggregates
- (2019) E. Srinivasan et al. MOLECULAR SIMULATION
- Rational design of linear tripeptides against the aggregation of human mutant SOD1 protein causing amyotrophic lateral sclerosis
- (2019) E. Srinivasan et al. JOURNAL OF THE NEUROLOGICAL SCIENCES
- Dermaseptins, Multifunctional Antimicrobial Peptides: A Review of Their Pharmacology, Effectivity, Mechanism of Action, and Possible Future Directions
- (2019) Emiel Jacob Henri Bartels et al. Frontiers in Pharmacology
- Synergistic and antibiofilm properties of ocellatin peptides against multidrug-resistant Pseudomonas aeruginosa
- (2018) Lucinda J Bessa et al. Future Microbiology
- Biological Properties, Current Applications and Potential Therapeautic Applications of Brevinin Peptide Superfamily
- (2018) Fatemeh Zohrab et al. International Journal of Peptide Research and Therapeutics
- NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus
- (2018) Karla A.G.G. Gomes et al. PEPTIDES
- Dermaseptins as potential antirabies compounds
- (2018) Mohamed Ben Mechlia et al. VACCINE
- Identification of protegrin-1 as a stable and non-toxic scaffold among protegrin family- A computational approach
- (2018) Shruti S. R. et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Identification of Effective Dimeric Gramicidin-D Peptide as Antimicrobial Therapeutics over Drug Resistance: In-Silico Approach
- (2018) G. Pavithrra et al. Interdisciplinary Sciences-Computational Life Sciences
- Molecular binding response of naringin and naringenin to H46R mutant SOD1 protein in combating protein aggregation using density functional theory and discrete molecular dynamics
- (2018) E. Srinivasan et al. PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
- Structural distortions due to missense mutations in human formylglycine-generating enzyme leading to multiple sulfatase deficiency
- (2017) D. Meshach Paul et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Ocellatin peptides from the skin secretion of the South American frog Leptodactylus labyrinthicus (Leptodactylidae): characterization, antimicrobial activities and membrane interactions
- (2017) Karla A. G. Gusmão et al. JOURNAL OF VENOMOUS ANIMALS AND TOXINS INCLUDING TROPICAL DISEASES
- Molecular mechanism of synergy between the antimicrobial peptides PGLa and magainin 2
- (2017) Jonathan Zerweck et al. Scientific Reports
- Antimicrobial peptides
- (2016) Ling-juan Zhang et al. CURRENT BIOLOGY
- Statistical tests, P values, confidence intervals, and power: a guide to misinterpretations
- (2016) Sander Greenland et al. EUROPEAN JOURNAL OF EPIDEMIOLOGY
- Computational investigation of curcumin, a natural polyphenol that inhibits the destabilization and the aggregation of human SOD1 mutant (Ala4Val)
- (2016) E. Srinivasan et al. RSC Advances
- Exploration of Structural and Functional Variations Owing to Point Mutations in α-NAGA
- (2016) D. Meshach Paul et al. Interdisciplinary Sciences-Computational Life Sciences
- Regulation of protein-ligand binding affinity by hydrogen bond pairing
- (2016) D. Chen et al. Science Advances
- The Chemistry and Biological Activities of Peptides from Amphibian Skin Secretions
- (2015) Xueqing Xu et al. CHEMICAL REVIEWS
- APD3: the antimicrobial peptide database as a tool for research and education
- (2015) Guangshun Wang et al. NUCLEIC ACIDS RESEARCH
- Automatic Identification of Mobile and Rigid Substructures in Molecular Dynamics Simulations and Fractional Structural Fluctuation Analysis
- (2015) Leandro Martínez PLoS One
- UniProt: a hub for protein information
- (2014) NUCLEIC ACIDS RESEARCH
- CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
- (2013) Jing Huang et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- In vitro antiviral activity of dermaseptin S4and derivatives from amphibian skin against herpes simplex virus type 2
- (2012) Ines Bergaoui et al. JOURNAL OF MEDICAL VIROLOGY
- LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
- (2011) Roman A. Laskowski et al. Journal of Chemical Information and Modeling
- Dermaseptins and Magainins: Antimicrobial Peptides from Frogs' Skin—New Sources for a Promising Spermicides Microbicides—A Mini Review
- (2009) Amira Zairi et al. JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY
- Protein elastic network models and the ranges of cooperativity
- (2009) L. Yang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules
- (2008) Daniel Seeliger et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A proposed nomenclature for antimicrobial peptides from frogs of the genus Leptodactylus
- (2008) J. Michael Conlon PEPTIDES
- Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction
- (2002) Hongyi Zhou et al. PROTEIN SCIENCE
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started