Plant Antimicrobial Peptides: State of the Art, In Silico Prediction and Perspectives in the Omics Era

Santos-Silva, Carlos André dos; Zupin, Luisa; Oliveira-Lima, Marx; Vilela, Lívia Maria Batista; Bezerra-Neto, João Pacífico; Ferreira‐Neto, José Ribamar Costa; Ferreira, Joana; Silva, Roberta Lane de Oliveira; Pires, Carolline de Jesús; Aburjaile, Flávia Figueira; Oliveira, Marianne Firmino de; Kido, Éderson Akio; Crovella, Sérgio; Benko‐Iseppon, Ana Maria

doi:10.1177/1177932220952739

Cited by 56 publications

(38 citation statements)

References 463 publications

(485 reference statements)

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“…Finally, dbAMP database contains over 12,000 entries [752]. There are at least six other databases dedicated to antimicrobial peptides [753][754][755][756][757][758] (for review, see [759,760]). Surprisingly, the number of clinical studies of antimicrobial peptides is, as of yet, relatively low (only 76) and the majority of these have ended in failure [761]; so far, only seven peptides have been approved for clinical use by the FDA [762].…”

Section: A Clear Case Of Drug Membrane Interaction As Mechanism Of Action-antimicrobial Agentsmentioning

confidence: 99%

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

2021

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We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the role that the lipid membrane can play in drug action, i.e., the interaction between candidate drug molecules and lipid membranes. In the standard “lock and key” paradigm, only the interaction between the drug and a specific active site of a specific protein is considered; the environment in which the drug acts is, from a biophysical perspective, far more complex than this. The possible mechanisms though which a drug can be designed to tinker with physiological processes are significantly broader than merely fitting to a single active site of a single protein. In this paper, we focus on the role of the lipid membrane, arguably the most important element outside the proteins themselves, as a case study. We discuss work that has been carried out, using MD simulation, concerning the transfection of drugs through membranes that act as biological barriers in the path of the drugs, the behavior of drug molecules within membranes, how their collective behavior can affect the structure and properties of the membrane and, finally, the role lipid membranes, to which the vast majority of drug target proteins are associated, can play in mediating the interaction between drug and target protein. This review paper is the second in a two-part series covering MD simulation as a tool in pharmaceutical research; both are designed as pedagogical review papers aimed at both pharmaceutical scientists interested in exploring how the tool of MD simulation can be applied to their research and computational scientists interested in exploring the possibility of a pharmaceutical context for their research.

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Section: A Clear Case Of Drug Membrane Interaction As Mechanism Of Action-antimicrobial Agentsmentioning

confidence: 99%

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

2021

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“…It is worth noting that plant host defense peptides (HDPs) or antimicrobial peptides (AMPs), generally cysteine-rich (nodule-specific cysteine-rich peptides, NCRs), are considered one of the main barriers developed by plants to fight infective agents [20][21][22], and are now being studied as antimicrobial agents against drug-resistant bacteria and other biomedical applications [23,24]. Amongst the different types of HDPs, the Snakin class is particularly interesting, as it encompasses the principal cysteine-rich peptides and given that the Snakin/GASA gene family has been identified in the grapevine [25].…”

Section: Introductionmentioning

confidence: 99%

On the Applicability of Chitosan Oligomers-Amino Acid Conjugate Complexes as Eco-Friendly Fungicides against Grapevine Trunk Pathogens

et al. 2021

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In a context in which the incidence and severity of grapevine fungal diseases is increasing as a result of both climate change and modern management culture practices, reducing the excessive use of phytosanitary products in viticulture represents a major challenge. Specifically, grapevine trunk diseases (GTDs), caused by several complexes of wood decay or xylem-inhabiting fungi, pose a major challenge to vineyard sustainability. In this study, the efficacy of chitosan oligomers (COS)–amino acid conjugate complexes against three fungal species belonging to the Botryosphaeriaceae family (Neofusicoccum parvum, Diplodia seriata, and Botryosphaeria dothidea) was investigated both in vitro and in planta. In vitro tests led to EC50 and EC90 effective concentrations in the 254.6−448.5 and 672.1−1498.5 µg·mL−1 range, respectively, depending on the amino acid involved in the conjugate complex (viz. cysteine, glycine, proline or tyrosine) and on the pathogen assayed. A synergistic effect between COS and the amino acids was observed against D. seriata and B. dothidea (synergy factors of up to 2.5 and 2.8, respectively, according to Wadley’s method). The formulations based on COS and on the conjugate complex that showed the best inhibition rates, COS−tyrosine, were further investigated in a greenhouse trial on grafted vines of two varieties (”Tempranillo” on 775P and “Garnacha” on 110R rootstock), artificially inoculated with the mentioned three Botryosphaeriaceae species. The in planta bioassay revealed that the chosen formulations induced a significant decrease in disease severity against N. parvum and B. dothidea. In summary, the reported conjugate complexes may be promising enough to be worthy of additional examination in larger field trials.

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“…Mixed AMPs are those that structurally form α-helix combined with folded β-sheet. The AMPs contained in this structure occur naturally and are widespread in nature, showing diverse physicochemical properties and different mechanisms of action [ 138 , 139 ]. Five AMPs with antibacterial activity against VRSA and VISA combine α-helix and β-folded sheet structures, with net charges ranging from +1.9 to +6 ( Table 5 ).…”

Section: Classification Of Amps With Antibacterial Activity Against Vrsa and Visa Strainsmentioning

confidence: 99%

Antimicrobial Peptides with Antibacterial Activity against Vancomycin-Resistant Staphylococcus aureus Strains: Classification, Structures, and Mechanisms of Action

Hernández-Aristizábal¹,

Ocampo-Ibáñez²

2021

IJMS

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The emergence of bacteria resistant to conventional antibiotics is of great concern in modern medicine because it renders ineffectiveness of the current empirical antibiotic therapies. Infections caused by vancomycin-resistant Staphylococcus aureus (VRSA) and vancomycin-intermediate S. aureus (VISA) strains represent a serious threat to global health due to their considerable morbidity and mortality rates. Therefore, there is an urgent need of research and development of new antimicrobial alternatives against these bacteria. In this context, the use of antimicrobial peptides (AMPs) is considered a promising alternative therapeutic strategy to control resistant strains. Therefore, a wide number of natural, artificial, and synthetic AMPs have been evaluated against VRSA and VISA strains, with great potential for clinical application. In this regard, we aimed to present a comprehensive and systematic review of research findings on AMPs that have shown antibacterial activity against vancomycin-resistant and vancomycin-intermediate resistant strains and clinical isolates of S. aureus, discussing their classification and origin, physicochemical and structural characteristics, and possible action mechanisms. This is the first review that includes all peptides that have shown antibacterial activity against VRSA and VISA strains exclusively.

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Plant Antimicrobial Peptides: State of the Art, In Silico Prediction and Perspectives in the Omics Era

Cited by 56 publications

References 463 publications

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

On the Applicability of Chitosan Oligomers-Amino Acid Conjugate Complexes as Eco-Friendly Fungicides against Grapevine Trunk Pathogens

Antimicrobial Peptides with Antibacterial Activity against Vancomycin-Resistant Staphylococcus aureus Strains: Classification, Structures, and Mechanisms of Action

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