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1.
Anal Chim Acta ; 1264: 341300, 2023 Jul 11.
Article in English | MEDLINE | ID: covidwho-2316794

ABSTRACT

The ongoing severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has rapidly spread worldwide which triggered serious public health issues. The search for rapid and accurate diagnosis, effective prevention, and treatment is urgent. The nucleocapsid protein (NP) of SARS-CoV-2 is one of the main structural proteins expressed and most abundant in the virus, and is considered a diagnostic marker for the accurate and sensitive detection of SARS-CoV-2. Herein, we report the screening of specific peptides from the pIII phage library that bind to SARS-CoV-2 NP. The phage monoclone expressing cyclic peptide N1 (peptide sequence, ACGTKPTKFC, with C&C bridged by disulfide bonding) specifically recognizes SARS-CoV-2 NP. Molecular docking studies reveal that the identified peptide is bound to the "pocket" region on the SARS-CoV-2 NP N-terminal domain mainly by forming a hydrogen bonding network and through hydrophobic interaction. Peptide N1 with the C-terminal linker was synthesized as the capture probe for SARS-CoV-2 NP in ELISA. The peptide-based ELISA was capable of assaying SARS-CoV-2 NP at concentrations as low as 61 pg/mL (∼1.2 pM). Furthermore, the as-proposed method could detect the SARS-CoV-2 virus at limits as low as 50 TCID50 (median tissue culture infective dose)/mL. This study demonstrates that selected peptides are powerful biomolecular tools for SARS-CoV-2 detection, providing a new and inexpensive method of rapidly screening infections as well as rapidly diagnosing coronavirus disease 2019 patients.


Subject(s)
COVID-19 , SARS-CoV-2 , Humans , Bioprospecting , Molecular Docking Simulation , COVID-19/diagnosis , Nucleocapsid Proteins , Enzyme-Linked Immunosorbent Assay/methods , Peptides , Antibodies, Viral
2.
J Mol Model ; 29(5): 161, 2023 Apr 28.
Article in English | MEDLINE | ID: covidwho-2301581

ABSTRACT

CONTEXT: The persistent spread of highly contagious COVID-19 disease is one of the deadliest occurrences in the history of mankind. Despite the distribution of numerous efficacious vaccines and their extensive usage, the perpetual effectiveness of immunization is being catechized. Therefore, discovering an alternative therapy to control and prevent COVID-19 infections has become a top priority. The main protease (Mpro) plays a key role in viral replication, making it an intriguing pharmacological target for SARS-CoV-2. METHODS: In this context, virtual screening of thirteen bioactive polyphenols and terpenoids of Rosmarinus officinalis L. was performed using several computational modules including molecular docking, ADMET, drug-likeness characteristics, and molecular dynamic simulation to predict the potential inhibitors against SARS-CoV-2 Mpro (PDB: 6LU7). The results suggest that apigenin, betulinic acid, luteolin, carnosol, and rosmarinic acid may emerge as potential inhibitors of SARS-CoV-2 with acceptable drug-likeness, pharmacokinetics, ADMET characteristics, and binding interactions comparable with remdesivir and favipiravir. These findings imply that some of the active components of Rosmarinus officinalis L. can serve as an effective antiviral source for the development of therapeutics for SARS-CoV-2 infection.


Subject(s)
COVID-19 , Rosmarinus , Bioprospecting , Molecular Docking Simulation , SARS-CoV-2 , Antiviral Agents/pharmacology , Molecular Dynamics Simulation , Protease Inhibitors/pharmacology
3.
Mol Biol Rep ; 49(2): 1475-1490, 2022 Feb.
Article in English | MEDLINE | ID: covidwho-1507001

ABSTRACT

In viral respiratory infections, disrupted pathophysiological outcomes have been attributed to hyper-activated and unresolved inflammation responses of the immune system. Integration between available drugs and natural therapeutics have reported benefits in relieving inflammation-related physiological outcomes and microalgae may be a feasible source from which to draw from against future coronavirus-infections. Microalgae represent a large and diverse source of chemically functional compounds such as carotenoids and lipids that possess various bioactivities, including anti-inflammatory properties. Therefore in this paper, some implicated pathways causing inflammation in viral respiratory infections are discussed and juxtaposed along with available research done on several microalgal metabolites. Additionally, the therapeutic properties of some known anti-inflammatory, antioxidant and immunomodulating compounds sourced from microalgae are reported for added clarity.


Subject(s)
Anti-Inflammatory Agents/pharmacology , Antioxidants/pharmacology , COVID-19/complications , Cytokine Release Syndrome/drug therapy , Microalgae/metabolism , Animals , Bioprospecting/methods , COVID-19/metabolism , Cytokine Release Syndrome/metabolism , Cytokine Release Syndrome/virology , Humans , Inflammation/drug therapy , Inflammation/metabolism
4.
Eur J Pharmacol ; 891: 173781, 2021 Jan 15.
Article in English | MEDLINE | ID: covidwho-1049788

ABSTRACT

The coronavirus disease of 2019 (COVID-19) outbreak caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which started in late 2019 in Wuhan, China spread to the whole world in a short period of time, and thousands of people have died due to this epidemic. Although scientists have been searching for methods to manage SARS-CoV-2, there is no specific medication against COVID-19 as of yet. Two main approaches should be followed in the treatment of SARS-CoV-2; one of which is to neutralize the virus, and the other is to inhibit the host cell membrane receptors, where SARS-CoV-2 will bind. In this study, peptides derived from beta-lactoglobulin, which inactivates both the virus and its receptors in the host cell, were identified using computer-based in silico analysis. The beta-lactoglobulin derived peptides used in this study were obtained by the treatment of goat milk whey fraction with trypsin. The structure of the peptides was characterized by the liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF/MS), and six beta-lactoglobulin derived peptides were selected as candidate peptides. Subsequently, the effects of peptides on SARS-CoV-2 and host cells were identified using virtual screening. According to the results of this in silico analysis, Ala-Leu-Pro-Met-His-Ile-Arg (ALMPHIR) and Ile-Pro-Ala-Val-Phe-Lys (IPAVFK) peptides were evaluated as potential candidates to be used in the treatment of SARS-CoV-2 after the future in vitro and in vivo studies.


Subject(s)
COVID-19 Drug Treatment , COVID-19 , Drug Discovery/methods , Lactoglobulins/pharmacology , SARS-CoV-2 , Whey Proteins/pharmacology , Antiviral Agents/pharmacology , Bioprospecting/methods , COVID-19/metabolism , Computer Simulation , Humans , Molecular Docking Simulation , SARS-CoV-2/drug effects , SARS-CoV-2/physiology
5.
Radiol Med ; 125(11): 1124-1134, 2020 Nov.
Article in English | MEDLINE | ID: covidwho-911932

ABSTRACT

Myocarditis is an inflammatory disease of the heart muscle, diagnosed by histological, immunological, and immunohistochemical criteria. Endomyocardial biopsy represents the diagnostic gold standard for its diagnosis but is infrequently used. Due to its noninvasive ability to detect the presence of myocardial edema, hyperemia and necrosis/fibrosis, Cardiac MR imaging is routinely used in the clinical practice for the diagnosis of acute myocarditis. Recently pixel-wise mapping of T1 and T2 relaxation time have been introduced into the clinical Cardiac MR protocol increasing its accuracy. Our paper will review the role of MR imaging in the diagnosis of acute myocarditis.


Subject(s)
Cardiac Imaging Techniques/methods , Endocardium/pathology , Magnetic Resonance Imaging/methods , Myocarditis/diagnostic imaging , Acute Disease , Adult , Asymptomatic Diseases , Betacoronavirus , Bioprospecting , COVID-19 , Chronic Disease , Coronavirus Infections/complications , Coronavirus Infections/epidemiology , Female , Humans , Magnetic Resonance Imaging, Cine , Male , Middle Aged , Multidetector Computed Tomography , Myocarditis/etiology , Myocarditis/pathology , Pandemics , Pericarditis/diagnostic imaging , Pericarditis/etiology , Pneumonia, Viral/complications , Pneumonia, Viral/epidemiology , Prognosis , SARS-CoV-2
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