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1.
Int J Mol Sci ; 24(10)2023 May 15.
Article in English | MEDLINE | ID: covidwho-20242074

ABSTRACT

Previously, functional coatings on 3D-printed titanium implants were developed to improve their biointegration by separately incorporating Ga and Ag on the biomaterial surface. Now, a thermochemical treatment modification is proposed to study the effect of their simultaneous incorporation. Different concentrations of AgNO3 and Ga(NO3)3 are evaluated, and the obtained surfaces are completely characterized. Ion release, cytotoxicity, and bioactivity studies complement the characterization. The provided antibacterial effect of the surfaces is analyzed, and cell response is assessed by the study of SaOS-2 cell adhesion, proliferation, and differentiation. The Ti surface doping is confirmed by the formation of Ga-containing Ca titanates and nanoparticles of metallic Ag within the titanate coating. The surfaces generated with all combinations of AgNO3 and Ga(NO3)3 concentrations show bioactivity. The bacterial assay confirms a strong bactericidal impact achieved by the effect of both Ga and Ag present on the surface, especially for Pseudomonas aeruginosa, one of the main pathogens involved in orthopedic implant failures. SaOS-2 cells adhere and proliferate on the Ga/Ag-doped Ti surfaces, and the presence of gallium favors cell differentiation. The dual effect of both metallic agents doping the titanium surface provides bioactivity while protecting the biomaterial from the most frequent pathogens in implantology.


Subject(s)
Gallium , Titanium , Titanium/pharmacology , Titanium/chemistry , Silver/pharmacology , Silver/chemistry , Osseointegration , Porosity , Gallium/pharmacology , Coated Materials, Biocompatible/pharmacology , Coated Materials, Biocompatible/chemistry , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Surface Properties
2.
Frontiers in Nanotechnology ; 4, 2022.
Article in English | Web of Science | ID: covidwho-20230882

ABSTRACT

Despite ongoing public health measures and increasing vaccination rates, deaths and disease severity caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its new emergent variants continue to threaten the health of people around the world. Therefore, there is an urgent need to develop novel strategies for research, diagnosis, treatment, and government policies to combat the variant strains of SARS-CoV-2. Since the state-of-the-art COVID-19 pandemic, the role of selenium in dealing with COVID-19 disease has been widely discussed due to its importance as an essential micronutrient. This review aims at providing all antiviral activities of nanoselenium (Nano-Se) ever explored using different methods in the literature. We systematically summarize the studied antiviral activities of Nano-Se required to project it as an efficient antiviral system as a function of shape, size, and synthesis method. The outcomes of this article not only introduce Nano-Se to the scientific community but also motivate scholars to adopt Nano-Se to tackle any serious virus such as mutated SARS-CoV-2 to achieve an effective antiviral activity in a desired manner.

3.
Materials Science Forum ; 1085:3-8, 2023.
Article in English | Scopus | ID: covidwho-2322702

ABSTRACT

The emergence of COVID-19 raised awareness in hygiene practices and reminded us of the harm that microbes bring to our health. Incorporating antibacterial agents in polymeric materials would allow us to combat lingering bacteria on surfaces that we often use. The utilization of composite filaments with antibacterial activity would allow us to employ better precautions in reducing contact with harmful bacteria. Antibacterial acrylonitrile‐butadiene‐styrene (ABS) nanocomposites were prepared by incorporating silver zirconium phosphate (AgZrP) nanoparticles via twin screw extruder. The ABS/AgZrP nanocomposite filament with 5 wt % and 20 wt% of AgZrP were synthesized and characterized with Differential scanning calorimetry (DSC), Thermogravimetric Analysis (TGA), X-ray diffraction analysis (XRD), and Fourier transform infrared spectroscopy (FTIR). DSC and XRD data denote an increase in the presence of crystalline regions as the AgZrP content is increased. TGA data indicate that the addition of AgZrP has no effect on the thermal stability of the material. FTIR data indicate a decrease in transmission at higher AgZrP loading. The decreasing trend in tensile properties of the 3D-printed neat and AgZrP-filled ABS may have been due to particle agglomeration acting as stress concentrators. Antibacterial activity assessment via disk diffusion test showed a zone of inhibition within the sample indicating that there is no bacterial growth both for Escherichia coli and Staphylococcus aureus. © 2023 Trans Tech Publications Ltd, Switzerland.

4.
Polycyclic Aromatic Compounds ; : 1-24, 2023.
Article in English | Academic Search Complete | ID: covidwho-2321942

ABSTRACT

Imine derivatives are widely used in medicine for the treatment of several diseases causing human infections;we examined Schiff's bases derivatives: 2-[(3-methylphenyl) azomethine] phenol (L1), 2-[(3-chlorophenyl) azomethine] phenol (L2) and 2-[(3-nitrophenyl) azomethine] phenol (L3) against three human pathogenic bacterial strains according to the disk diffusion test. In addition, to revealing the importances of the in silico study of these derivatives, in particular the molecular docking which is based on the protein structures: the main protease 3CL of SARS-CoV-2 and the aminopeptidase of the M1 family. Also, a molecular dynamics simulation was performed to examine the structural stability of the best docked conformation. The evaluation of the global reactivity parameters of the molecular system of Schiff base derivatives was applied by the DFT method with the hybrid functional (B3LYP)/6-31G (d) basis set. The results of the antibacterial activity showed a strong activity in the presence of the L3 ligand against Escherichia coli (ATCC 25922) with a diameter inhibition zone equal to 11 ± 0.61 mm. Molecular docking shows that the L3 ligand formed with protein targets more stable complexes by predicting interesting interactions: hydrogen, hydrophobic and electrostatic bonds with the residues of these targets 3CLpro and PfA-M1. Further, molecular dynamics simulations confirm a strong energy contribution with these interactions. Therefore, suggesting that our ligands could contribute to the development of anti-coronavirus-2 and anti-malarial drug properties. [ FROM AUTHOR] Copyright of Polycyclic Aromatic Compounds is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)

5.
Mater Lett ; 346: 134557, 2023 Sep 01.
Article in English | MEDLINE | ID: covidwho-2324871

ABSTRACT

Melt-blown polymer fiber materials are frequently used in the face mask manufacturing. In the present work, a melt-blown polypropylene tape was modified by silver nanoparticles using chemical metallization. The silver coatings on the fiber surface consisted of crystallites 4-14 nm in size. For the first time, these materials were comprehensively tested for antibacterial, antifungal and antiviral activity. The silver-modified materials showed antibacterial and antifungal activities, especially at high concentrations of silver, and were found to be efficient against the SARS-CoV-2 virus. The silver-modified fiber tape can be used in the face mask manufacturing and as an antimicrobial and antiviral component in filters of liquid and gaseous media.

6.
Journal of Biological Chemistry ; 299(3 Supplement):S68, 2023.
Article in English | EMBASE | ID: covidwho-2319732

ABSTRACT

Pulmonary aspergillosis (PA) is a category of respiratory illnesses that significantly impacts the lives of immunocompromised individuals. However, new classifications of secondary infections like influenza associated aspergillosis (IAA) and COVID-19 associated pulmonary aspergillosis (CAPA) only exacerbate matters by expanding the demographic beyond the immunocompromised. Meanwhile anti-fungal resistant strains of Aspergillus are causing current treatments to act less effectively. Symptoms can range from mild (difficulty breathing, and expectoration of blood) to severe (multi organ failure, and neurological disease). Millions are affected yearly, and mortality rates range from 20-90% making it imperative to develop novel medicines to curtail this evolving group of diseases. Chalcones and imidazoles are current antifungal pharmacophores used to treat PA. Chalcones are a group of plant-derived flavonoids that have a variety of pharmacological effects, such as, antibacterial, anticancer, antimicrobial, and anti-inflammatory activities. Imidazoles are another class of drug that possess antibacterial, antiprotozoal, and anthelmintic activities. The increase in antifungal resistant Aspergillus and Candida species make it imperative for us to synthesize novel pharmacophores for therapeutic use. Our objective was to synthesize a chalcone and imidazole into a single pharmacophore and to evaluate its effectiveness against three different fungi from the Aspergillus or Candida species. The chalcones were synthesized via the Claisen-Schmidt aldol condensation of 4-(1H-Imizadol-1-yl) benzaldehyde with various substituted acetophenones using aqueous sodium hydroxide in methanol. The anti-fungal activity of the synthesized chalcones were evaluated via a welldiffusion assay against Aspergillus fumigatus, Aspergillus niger, and Candida albicans. The data obtained suggests that chalcone derivatives with electron-withdrawing substituents are moderately effective against Aspergillus and has the potential for further optimization as a treatment for pulmonary aspergillosis. This project was supported by grants from the National Institutes of Health (NIH), National Institute of General Medicine Sciences (NIGMS), IDeA Networks of Biomedical Research Excellence (INBRE), Award number: P20GM103466. The content is solely the responsibility of the authors and do not necessarily represent the official views of the NIH.Copyright © 2023 The American Society for Biochemistry and Molecular Biology, Inc.

7.
Front Cell Infect Microbiol ; 13: 1162721, 2023.
Article in English | MEDLINE | ID: covidwho-2312110

ABSTRACT

Background: Antimicrobial resistance is a serious threat to public health globally. It is a slower-moving pandemic than COVID-19, so we are fast running out of treatment options. Purpose: Thus, this study was designed to search for an alternative biomaterial with broad-spectrum activity for the treatment of multidrug-resistant (MDR) bacterial and fungal pathogen-related infections. Methods: We isolated Streptomyces species from soil samples and identified the most active strains with antimicrobial activity. The culture filtrates of active species were purified, and the bioactive metabolite extracts were identified by thin-layer chromatography (TLC), preparative high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and gas chromatography-mass spectrometry (GC-MS). The minimum inhibitory concentrations (MICs) of the bioactive metabolites against MDR bacteria and fungi were determined using the broth microdilution method. Results: Preliminary screening revealed that Streptomyces misakiensis and S. coeruleorubidus exhibited antimicrobial potential. The MIC50 and MIC90 of S. misakiensis antibacterial bioactive metabolite (ursolic acid methyl ester) and antifungal metabolite (tetradecamethylcycloheptasiloxane) against all tested bacteria and fungi were 0.5 µg/ml and 1 µg/mL, respectively, versus S. coeruleorubidus metabolites: thiocarbamic acid, N,N-dimethyl, S-1,3-diphenyl-2-butenyl ester against bacteria (MIC50: 2 µg/ml and MIC90: 4 µg/mL) and fungi (MIC50: 4 µg/ml and MIC90: 8 µg/mL). Ursolic acid methyl ester was active against ciprofloxacin-resistant strains of Streptococcus pyogenes, S. agalactiae, Escherichia coli, Klebsiella pneumoniae, and Salmonella enterica serovars, colistin-resistant Aeromonas hydrophila and K. pneumoniae, and vancomycin-resistant Staphylococcus aureus. Tetradecamethylcycloheptasiloxane was active against azole- and amphotericin B-resistant Candida albicans, Cryptococcus neoformans, C. gattii, Aspergillus flavus, A. niger, and A. fumigatus. Ursolic acid methyl ester was applied in vivo for treating S. aureus septicemia and K. pneumoniae pneumonia models in mice. In the septicemia model, the ursolic acid methyl ester-treated group had a significant 4.00 and 3.98 log CFU/g decrease (P < 0.05) in liver and spleen tissue compared to the infected, untreated control group. Lung tissue in the pneumonia model showed a 2.20 log CFU/g significant decrease in the ursolic acid methyl ester-treated group in comparison to the control group. The haematological and biochemical markers in the ursolic acid methyl ester-treated group did not change in a statistically significant way. Moreover, no abnormalities were found in the histopathology of the liver, kidneys, lungs, and spleen of ursolic acid methyl ester-treated mice in comparison with the control group. Conclusion: S. misakiensis metabolite extracts are broad-spectrum antimicrobial biomaterials that can be further investigated for the potential against MDR pathogen infections. Hence, it opens up new horizons for exploring alternative drugs for current and reemerging diseases.


Subject(s)
Anti-Infective Agents , COVID-19 , Methicillin-Resistant Staphylococcus aureus , Pneumonia , Sepsis , Mice , Animals , Staphylococcus aureus , Anti-Bacterial Agents/therapeutic use , Anti-Infective Agents/pharmacology , Bacteria , Fungi , Microbial Sensitivity Tests , Pneumonia/drug therapy , Klebsiella pneumoniae , Sepsis/drug therapy
8.
Front Microbiol ; 14: 1142646, 2023.
Article in English | MEDLINE | ID: covidwho-2315256

ABSTRACT

In recent investigations, secondary bacterial infections were found to be strongly related to mortality in COVID-19 patients. In addition, Pseudomonas aeruginosa and Methicillin-resistant Staphylococcus aureus (MRSA) bacteria played an important role in the series of bacterial infections that accompany infection in COVID-19. The objective of the present study was to investigate the ability of biosynthesized silver nanoparticles from strawberries (Fragaria ananassa L.) leaf extract without a chemical catalyst to inhibit Gram-negative P. aeruginosa and Gram-positive Staph aureus isolated from COVID-19 patient's sputum. A wide range of measurements was performed on the synthesized AgNPs, including UV-vis, SEM, TEM, EDX, DLS, ζ -potential, XRD, and FTIR. UV-Visible spectral showed the absorbance at the wavelength 398 nm with an increase in the color intensity of the mixture after 8 h passed at the time of preparation confirming the high stability of the FA-AgNPs in the dark at room temperature. SEM and TEM measurements confirmed AgNPs with size ranges of ∼40-∼50 nm, whereas the DLS study confirmed their average hydrodynamic size as ∼53 nm. Furthermore, Ag NPs. EDX analysis showed the presence of the following elements: oxygen (40.46%), and silver (59.54%). Biosynthesized FA-AgNPs (ζ = -17.5 ± 3.1 mV) showed concentration-dependent antimicrobial activity for 48 h in both pathogenic strains. MTT tests showed concentration-dependent and line-specific effects of FA-AgNPs on cancer MCF-7 and normal liver WRL-68 cell cultures. According to the results, synthetic FA-AgNPs obtained through an environmentally friendly biological process are inexpensive and may inhibit the growth of bacteria isolated from COVID-19 patients.

9.
Tetrahedron ; 129 (no pagination), 2022.
Article in English | EMBASE | ID: covidwho-2303647

ABSTRACT

Historically organometallic compounds have been used to cure certain diseases with limited applications. Although bismuth belongs to the category of heavy metals, many of its derivatives have found applications in modern drug discovery research, mainly because of its low toxicity and higher bioavailability. Being an eco-friendly mild Lewis acid, compounds having bismuth as a central atom are capable of binding several proteins in humans and other species. Bismuth complexes demonstrated antibacterial potential in syphilis, diarrhea, gastritis, and colitis. Apart from antibacterial activities, bismuth compounds exhibited anticancer, antileishmanial, and some extent of antifungal and other medicinal properties. This article discusses major synthetic methods and pharmacological potentials of bismuth complexes exhibiting in vitro activity to significant clinical performance in a systematic and timely manner.Copyright © 2022 Elsevier Ltd

10.
Current Drug Therapy ; 18(2):89-97, 2023.
Article in English | Scopus | ID: covidwho-2303573

ABSTRACT

Silymarin, is a phytoactive constituent isolated from the fruits and seeds of Silybum maria-num L Gaetn.), also called milk thistle belonging to the family of Asteracease. The phytoactive has been used to treat several physiological disorders. The objective of this manuscript was to review the therapeutic prospective of silymarin due to its ability to treat several physiological disorders. The da-tabases such as Pubmed, Elsevier, and Google Scholar were reviewed for the investigations or reviews published related to the title. The discussion is focused on the immunomodulatory, chemopreventive, and anti-inflammatory mechanisms of silymarin in various metabolic and dermatological disorders. In addition, the review discusses the different therapeutic potentials of silymarin such as the management of the liver disorder, skin carcinogenesis, cardiovascular disorders, diabetes mellitus, neurodegenera-tive disorders, and several dermatological disorders such as melasma, anti-aging, acne, rosacea, atopic dermatitis, and psoriasis. Silymarin is safe even with a dose higher than the therapeutic dose. Si-lymarin had good potential for the safe and effective treatment of numerous metabolic and dermatological disorders. © 2023 Bentham Science Publishers.

11.
Current Traditional Medicine ; 9(6) (no pagination), 2023.
Article in English | EMBASE | ID: covidwho-2302254

ABSTRACT

Herbal plant extracts or purified phytocomponents have been extensively used to treat several diseases since ancient times. The Indian Ayurvedic system and Chinese traditional medicines have documented the medicinal properties of important herbs. In Ayurveda, the polyherbal formulation is known to exhibit better therapeutic efficacy compared to a single herb. This review focuses on six key ayurvedic herbal plants namely, Tinospora cordifolia, Withania somnifera, Glycyrrhiza glabra/Licorice, Zingiber officinale, Emblica officinalis and Ocimum sanctum. These plants possess specific phytocomponents that aid them in fighting infections and keeping body healthy and stress-free. Plants were selected due to their reported antimicrobial and anti-inflammatory effects in several diseases and effectiveness in controlling viral pathogenesis. An ad-vanced literature search was carried out using Pubmed and google scholar. Result(s): These medicinal plants are known to exhibit several protective features against various diseases or infections. Here we have particularly emphasized on antioxidant, anti-inflammatory, anti-microbial and immunomodulatory properties which are common in these six plants. Recent literature analysis has revealed Ashwagandha to be protective for Covid-19 too. The formulation from such herbs can exhibit synergism and hence better effectiveness against infection and related dis-eases. The importance of these medicinal herbs becomes highly prominent as it maintains the har-monious balance by way of boosting the immunity in a human body. Further, greater mechanistic analyses are required to prove their efficacy in fighting infectious diseases like Covid-19. It opens the arena for in-depth research of identifying and isolating the active components from these herbs and evaluating their potency to inhibit viral infections as polyherbal formulations.Copyright © 2023 Bentham Science Publishers.

12.
Chemistry Africa ; 2023.
Article in English | Scopus | ID: covidwho-2297755

ABSTRACT

This paper reports the mixed ligand–metal complexes of CuSO4·5H2O and ZnSO4·7H2O with salicylaldehyde thiosemicarbazone (2-hydroxybenzaldehyde thiosemicarbazone) as primary ligand and imidazole (im), pyridine (py) and triphenylphosphine (PPh3) as secondary ligands through a general preparatory route. The ligand and complexes were characterized by FTIR, UV, 1H-NMR and molar conductance techniques. Computational studies to know the physicochemical parameters, bioactivity scores, absorption, distribution, metabolism, excretion and toxicity (ADMET) properties were carried out through Molinspiration, SwissADME and admetSAR softwares. Molecular docking was perfomed with Mproof SARS-CoV-2 (PDB i.d.6LU7), Aspartate Kinase (PDB i.d.5YEI) and Transforming Growth Factor β (PDB i.d. 3KFD) using PyRx automated docking software. The antibacterial activity was tested using Agar well method. Computational findings revealed that almost all the complexes had clogP values less than 5 indicating their bioavailability. The bioactivity scores of the complexes were between moderate to good. The mixed ligand complexes having imidazole as secondary ligand displayed relatively high FCsp3, indicating their potential as lead candidates. [Zn(C8H9N3OS)(PPh3)2(SO4)] and [Cu(C8H9N3OS)(im)2(SO4)] exhibited appreciable binding affinity against the selected proteins. Furthermore, the molecular simulation findings with the ligated [Cu(C8H9N3OS)(im)2(SO4)] and aspartate kinase showed compact folding, less deviations and significant stability. The stability of the ligand was further confirmed by the frontier molecular orbitals (FMOs) gap. The energy gap (− 0.423 eV) indicated molecular stability. The ligand was active against L. monocytogenes, S. aureus and E.coli having zone of inhibition of 11, 11 and 10 mm respectively. Among the complexes, [Cu(C8H9N3OS)(im)2(SO4)] had the minimum inhibitory concentrations (MIC) ranging between 32 and 128 µg/mL against the selecetd bacterial strains. Graphical : [Figure not available: see fulltext.] © 2023, The Tunisian Chemical Society and Springer Nature Switzerland AG.

13.
Pharmacological Research - Modern Chinese Medicine ; 3 (no pagination), 2022.
Article in English | EMBASE | ID: covidwho-2294809

ABSTRACT

Garlic (Allium sativum) has been known for its potent medicinal activities and its interesting culinary role since ancient times. With over 200 phytochemicals and flavoring compounds elucidated and many others yet to, garlic promises to improve human health and vitality. Just like other phytochemical classes, essential oils for garlic have been reported to show interesting medical activities delving across diverse antimicrobial, cardio-protective, anti-cancer, anti-Alzheimer, anti-diabetic, and immunomodulatory activities. Garlic essential oils contain mainly volatile and non-volatile allyl-sulphur-based compounds, which are a product of the stream decomposition of Allicin (a major component of garlic extract). Although a lot of work has been done on Allicin, there is little substantive work on the bio-availability and toxicities of its essential oil. This study, however, reviewed the methods that in recent times have been used to extract essential oils from garlic, recent studies on composition and therapeutic activities of Garlic essential oils, and a predictive overview of their bioavailability and toxicity. Finally, recommendations for future studies and other interesting prospects of garlic were also highlighted.Copyright © 2022

14.
Silk Fibroin: Advances in Applications and Research ; : 261-289, 2023.
Article in English | Scopus | ID: covidwho-2275873

ABSTRACT

Impaired wound recovery can fail to local hypoxia or tissue necrosis and ultimately result in abnormality or even death. Several factors can influence the wound healing environment, including bacterial or fungal infections, different disease states, desiccation, edema, and even systemic viral infections such as COVID-19. Silk fibroin, the fibrous structural-protein component in silk, has emerged as a promising treatment for these impaired processes by promoting functional tissue regeneration. Silk fibroin's dynamic properties allow for customizable nanoarchitectures, which can be tailored for effectively treating various wound healing impairments. Wound dressing materials designed from biocompatible and biodegradable polymersare widely used in wound healing. The present investigation deals withthe preparation of a unique blend of Silk Fibroin (SF)-Polyvinyl Alcohol (PVA) and ZnO nanoparticles (NPs) composite film (SF-PVAZnO NPs). The comparison of blend of SF- PVA and SF-PVA-ZnO Ps composite films were studied. The physical-chemicalcharacterizations of synthesized ZnO NPs and prepared composite films (SF-PVA and SF-PVA-ZnO) were studied. The field emission scanning electron microscopy confirmed the ZnO NPs embedded into SF-PVA composite film. The SF-PVA-ZnO NPs composite film showed enhanced mechanical property due to ZnO NPs. Antibacterial activity of the prepared composite filmsreveals that embedded ZnO NPs shows excellent antibacterial activity against wound infection-causing microorganisms. SF-PVA-ZnO composite film showed enhanced swelling behavior and faster blood clotting ability compared to control SF-PVA composite film. In-vitro cytocompatibility study exhibits the nontoxic nature of the synthesized SF-PVA-ZnO composite film. These studies confirm the designed composite film holds a huge potential to be used in dressing material for infected wound. © 2023 Nova Science Publishers, Inc.

15.
Polycyclic Aromatic Compounds ; 43(2):1735-1757, 2023.
Article in English | Academic Search Complete | ID: covidwho-2267499

ABSTRACT

A theoretical and experimental approach for a series of synthetic aromatic organic compounds as salicylaldehyde thiosemicarbazones were prepared from 4,4-dimethyl-3-thiosemicarbazide and substituted salicylaldehydes. The newly synthesized compounds were fully characterized by FT-IR, UV-vis, 1H-NMR, 13C-NMR, CHNS, HRMS, and fluorescence spectroscopy. DFT calculations were performed on the compounds to get a structure-property relationship. Some global reactivity descriptors like chemical potential (μ), electronegativity (χ), hardness (η), and electrophilicity index (ω) were also evaluated using DFT method. Optical nonlinearity response of our novel compounds was also studied which may be significant for the hi-tech NLO applications. These compounds were also evaluated for their antibacterial activities against certain strains of Gram-positive and Gram-negative bacteria. They displayed moderate activity against using bacterial strains. Additionally, inspiring from recent developments to find a potential inhibitor for COVID-19 virus, molecular docking calculations were also performed on studied compounds to see if our novel compounds show affinity for main protease (Mpro) of SARS-CoV-2 (PDB ID: 6LU7). We have found stable docked structures where docked compounds could readily bound to the SARS-CoV-2, which would be lethal to main protease (Mpro). The molecular docking calculations of the present compounds into the protease of SARS-CoV-2 virus revealed the binding energy in the range of −7.86 to 9.92 kcal/mol with inhibition constant values in the range of 1.360–5.820 µM. These binding affinities are reasonably well as compared to recently docking results of anti-SARS-CoV-2 drugs like chloroquine (−6.293 kcal/mol), hydroxychloroquine (−5.573 kcal/mol) and remdesivir (−6.352 kcal/mol) when targeted to the active-site of SARS-CoV-2 main protease (Mpro). [ FROM AUTHOR] Copyright of Polycyclic Aromatic Compounds is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)

16.
Current Traditional Medicine ; 9(3):28-43, 2023.
Article in English | EMBASE | ID: covidwho-2267482

ABSTRACT

The mass casualties caused by the delta variant and the wave of the newer "Omicron" variant of SARS-COV-2 in India have brought about great concern among healthcare officials. The government and healthcare agencies are seeking effective strategies to counter the pandemic. The application of nanotechnology and repurposing of drugs are reported as promising approaches in the management of COVID-19 disease. It has also immensely boomed the search for productive, re-liable, cost-effective, and bio-assimilable alternative solutions. Since ancient times, the traditional-ly employed Ayurvedic bhasmas have been used for diverse infectious diseases, which are now employed as nanomedicine that could be applied for managing COVID-19-related health anomalies. Like currently engineered metal nanoparticles (NPs), the bhasma nanoparticles (BNPs) are also packed with unique physicochemical properties, including multi-elemental nanocrystalline compo-sition, size, shape, dissolution, surface charge, hydrophobicity, and multi-pathway regulatory as well as modulatory effects. Because of these conformational and configurational-based physico-chemical advantages, Bhasma NPs may have promising potential to manage the COVID-19 pandemic and reduce the incidence of pneumonia-like common lung infections in children as well as age-related inflammatory diseases via immunomodulatory, anti-inflammatory, antiviral, and adju-vant-related properties.Copyright © 2023 Bentham Science Publishers.

17.
Current Traditional Medicine ; 9(5) (no pagination), 2023.
Article in English | EMBASE | ID: covidwho-2266082

ABSTRACT

Background: Honey has been used medicinally in folk medicine since the dawn of civili-zation. It is a necessary component of medicine and food in a wide variety of cultures. It has been used in Unani Medicine for centuries to treat a variety of ailments. Objective(s): This review article aims to explore the medicinal characteristics of honey in view of Unani and modern concepts, highlight its potential in the treatment of the ailments stated in Unani medical literature, and also explore the relevant evidence-based phytochemistry, pharmacological, and clinical data. Method(s): The authors searched classical texts exhaustively for information on the temperament (Mizaj), pharmacological activities, mechanism of action, and therapeutic benefits of honey. Addition-ally, a comprehensive search of internet databases was conducted to compile all available information on the physicochemical, phytochemical, and pharmacological properties of this compound. Result(s): Evidence suggests that honey contains about 180 different types of various compounds, including carbohydrates, proteins, enzymes, flavonoids, and other chemical substances. In Unani classical literature, it exerts important pharmacological actions besides its immense nutritional signifi-cance. Unani physicians advocated many tested/experimented prescriptions and formulations, which still have their relevance in the amelioration of various diseases. Conclusion(s): This analysis concludes that honey has been successfully utilized in Unani medicine for centuries to treat a variety of maladies and is a potential natural source of remedy for a variety of medical disorders. Future research on honey should include a combination of Unani and modern principles.Copyright © 2023 Bentham Science Publishers.

18.
Pakistan Journal of Life and Social Sciences ; 20(1):139-145, 2022.
Article in English | Scopus | ID: covidwho-2261904

ABSTRACT

Structured Supervised Practice (SSP) is an essential component of the undergraduate BS degree program in Human Nutrition and Dietetics because it develops core competencies in entry level dietitians in clinical settings. During Covid-19 pandemic, the Rana Liaquat Ali Khan College of Home Economics (RLAK CHE), Karachi-Pakistan offered virtual internships to the dietetics internes to provide training under the supervision of experienced Dietitians and also save the timeline of their degree program. This study aims to assess the usefulness of virtual clinics in providing understanding of nutrition counselling process to the dietetic internes. Net Promoter Score (NPS) was used to assess the students' acceptability and overall satisfaction levels of students, Dietitians and clients with these virtual clinics. A total of 37 students participated in this internship program. The results of this study showed that acceptability of the program among students is highly favorable (NPS score=42.9). The students were highly satisfied with the various aspects of virtual clinic program as indicated by the NPS (46.5-75.0). Dietitians were also very satisfied (NPS= 53.85-76.92) with this program and its different aspects including trainees responsiveness (SS=76.92), their patients counselling abilities (SS=69.23) and smoothness of the sessions but their satisfaction level was low in sharing their diet plans through screen shares (46.7). The clients' satisfaction level scored extremely satisfied (65.4-96.2). Our results also revealed the usefulness of these clinics to the students after one year of completion when they employed as nutritionist and dietitian in clinics. It was concluded from this study that these virtual nutrition clinic acts as a useful tool not only for educational purpose for students but also for clients to receive nutritional counseling in various circumstances where physical visit is a problem. © 2022,Pakistan Journal of Life and Social Sciences.All Rights Reserved.

19.
Current Traditional Medicine ; 9(4):23-36, 2023.
Article in English | EMBASE | ID: covidwho-2261644

ABSTRACT

Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread worldwide. There is no effective medication for COVID-19 as of now, so it would be good to take preventive measures that not only boost our immunity but also fight against infections. The use of traditional Chinese medicine in China to treat COVID-19 patients sets the prototype demonstrating that traditional medicines can contribute to prevention and treatment successfully. In India, the Ministry of AYUSH (Ayurveda, Yoga, Unani, Siddha, Homeop-athy) released a self-care advisory during the COVID-19 crisis as a preventive aspect. This review article discusses the therapeutic potential and clinical relevance of some herbs [(Tulsi (Ocimum sanctum), Haridra (Curcuma longa), Tvaka (Cinnamon), Maricha (Piper longum), Shunthi (Zingi-ber officinale), Munakka (Dried grapes), Lavang (Syzigiumaromaticum), Pudina (Mentha arvensis), and Ajwain (Trachyspermum ammi)] advised by AUYSH to take during COVID-19 infection. They are effective in COVID-19 management, therefore, authors have discussed their detailed traditional uses as therapeutics and spotted scientific insight and clinical significance of the herbs mentioned above along with their mechanistic viewpoint, adequately, on a single platform. Provided information could be a treasure to open up a new research arena on natural products to manage human health crises effectively, caused not only by COVID-19 but also by other infectious diseases.Copyright © 2023 Bentham Science Publishers.

20.
Letters in Drug Design and Discovery ; 20(4):386-407, 2023.
Article in English | EMBASE | ID: covidwho-2285465

ABSTRACT

Background: Phytochemicals and their derivatives/analogues represent over 50% of the current medicines worldwide in clinical use. Despite a significant contribution to the total bioactive natural plant products, aquatic plants are underestimated, and several species are extinct and in the endangered list. Objective(s): The aim of this review article is to draw the attention of common people and scientists toward a few important contributions of the aquatic plants to natural product chemistry and drug discovery by highlighting the chemical and pharmaceutical aspects of the same. Method(s): The presented data were collected and selected from the literature obtained by an online search for the ethnomedicinal properties, biological activities and bioactive chemical constituents of aquatic plants using Google Scholar, PubMed and Scifinder chemical abstract service. Result(s): The selected literature data revealed that the extract and compounds isolated from several aquatic plants possess significant biological/pharmaceutical properties. For example, the alpha-asarone (24) and asiatic acid (33) isolated from Acorus calamus and Centella asiatica, respectively, exhibited significant neuroprotective effects in vitro and in vivo. The cripowellin A (59), cripowellin C (60), cripowellin B (61) and cripowellin D (62), isolated from Crinum erubescens, exhibited potent antiplasmodial and antiproliferative activities with half maximal inhibitory concentration (IC50) in nanomolar range (11-260 nM). Several other alkaloids from different Crinum species have also shown anticancer properties against different cancer cell lines with IC50 value <5 microM. Alkaloids and resin glycosides, isolated from different Ipomoea species, have displayed significant psychotropic, psychotomimetic, anticancer, and antibacterial activities with IC50 value <5 microM. Conclusion(s): The aquatic plants play a significant role in the discovery of bioactive natural products. Although several biological activities and bioactive compounds have been reported from these plants, further assessment and scientific validation of most of their traditional usages still need to be done. There are several other similar species that are underestimated and not much explored. Many aquatic plants, such as Ipomoea carnea Jacq., Juncus lomatophyllus Spreng., Commelina benghalensis Linn, Gunnera perpensa L., Scirpus maritimus L. and Mentha longifolia (L.) L., may be considered for further evaluation. In addition to these, one should not undermine the potential of Crinum macowanii for COVID-19 pathogenesis, as its chemical constituent lycorine has shown significant SARS-CoV-2 inhibitory potential (EC50, 0.3 muM;SI >129). Furthermore, most rural communities are still using the wetland resources for their cultural, medicinal, economic, domestic, and agricultural needs. Hence, the conservation of aquatic plants and wetlands is an issue of great concern.Copyright © 2023 Bentham Science Publishers.

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