In silico Molecular Docking of Cyclic Peptides against TEM-1 Beta-Lactamases for Effective Antimicrobial Drug Development

Targeting the class A Beta lactamases Omega loop is an ideal way to combat drug resistance because of its significant role in the catalytic activity and deacylation process inhibition. Therefore, the molecular docking approach with computerized peptide-based in silico screening has been applied for the identification of inhibitors of TEM-type βLs. Among the subjected 105 peptides, Chrombacin (-47.8 KJ/mol), Gassericin A (-35.7 KJ/mol), Duramycin (-34.1 KJ/mol), Brevinin-1DYa (-34.0 KJ/mol), Amoebapore A (-31.2 KJ/mol), Mundticin ATO6 (-29.0 KJ/mol), Lactocyclicin Q (-26.3 KJ/mol), Cinnamycin (-25.9 KJ/mol showed highest binding energy. Among the peptides that showed the highest docking score Elafin, Cinnamycin, Duramycin interacted with Lys 73 of the α domain of catalytic residues of TEM-1 Beta lactamases, whereas Taromycin A, Gassericin A interacted with Lys 234 of the β domain, depicting a strong inhibition and also exhibited desirable physicochemical properties. Hence further in vitro examination of these cyclic peptides against the resistant strains is warranted to help design further novel inhibitors based on their scaffolds and also for the development of an effective drug combination regime

Biomimetic Copper Oxide Nanoparticles and its Validation Through In-silico Approach on Cardiac Enzymes

Background: The present study outlines the green synthesis of copper oxide (GS-CuO) nanoparticles using Magnolia champaca plant floral extract for the first time. Computational analysis showed the role of GS-CuO nanoparticles on cardiac enzymes ACE2 and SOD1 functional expression through hydrogen bond interaction with amino acid residues. Method: The synthesized GS-CuO nanoparticles were characterized by various techniques like X-Ray Diffraction, UVVis Spectrophotometer, Fourier Transform Infrared Spectroscopy, Scanning Electron Microscopy and Transmission Electron Microscopy. Results: Nanoparticles demonstrate the presence of spherical shape and size 20 nm. The particles have many active sites and as compared to the bulk materials, and thus, the computational analysis was conducted against angiotensin-converting enzyme and superoxide dismutase to visualize the cardioprotective effects. Conclusion: The in-silico approach established valuable information on cardioprotective effects of green synthesized oxide nanoparticles using Magnolia champaca. </jats:sec

Visible light photocatalytic degradation and biological activities of Aegle marmelos- mediated cerium oxide nanoparticles

VISIBLE LIGHT PHOTOCATALYTIC DEGRADATION AND BIOLOGICAL ACTIVITIES OF AEGLE MARMELOS- MEDIATED CERIUM OXIDE NANOPARTICLES Green processing & synthesis (Rights reserved) (-) Visible light photocatalytic degradation and biological activities of Aegle marmelos- mediated cerium oxide nanoparticles / Jayakodi, Santhoshkumar (CC BY) (-

Visible light photocatalytic degradation and biological activities of Aegle marmelos-mediated cerium oxide nanoparticles

This study investigated the antibacterial and photocatalytic properties of cerium oxide nanoparticles (CeO2 NPs), which were synthesized using Aegle marmelos extract. CeO2 NPs were characterized by different spectroscopy methods such as ultraviolet-visible spectroscopy, powder X-ray diffraction, and Fourier transform-infrared spectroscopy. The shape and elemental analysis of synthesized CeO2 NPs were evaluated using scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy. Further, the size and stability of the synthesized CeO2 NPs were characterized by ZETA potential and dynamic light scattering analysis. Further, the photocatalytic efficiency of synthesized NPs was verified by 98% of methylene blue dye degradation exhibited within 180 min at the visible region and the first-order kinetic value was 0.2038 min−1. The green synthesized CeO2 NPs were found to have significant antibacterial activity against bacterial organisms. The effective antibacterial activity of E. coli (30 ± 0.02), P. aeruginosa (30 ± 0.07), S. aureus (24 ± 0.04), and S. epidermis (29 ± 0.04) at 100 µg·mL−1. Therefore, Aegle marmelos CeO2 NPs were used as a photocatalytic and antimicrobial therapeutic agent. The synthesized CeO2 NPs also displayed enhanced anticancer efficacy with higher concentrations against MCF-7 cells. Thus, CeO2 NPs have antibacterial, anticancer, and photocatalytic properties, according to this study

Probiotic-Bacteria (Lactobacillus fermentum)-Wrapped Zinc Oxide Nanoparticles: Biosynthesis, Characterization, and Antibacterial Activity

Recently, fabricated nanoparticles (NPs), which can efficiently penetrate biological systems, have found increased usage in the health and hygiene industries. Microbial enzymes and proteins have recently shown their potential to act as reducing agents for the production of NPs, thereby providing an alternative to physical and chemical methods. Not only is this approach efficient and cost-effective, but it also produces a minimal ecological footprint. In this study, zinc oxide nanoparticles (ZnO NPs) were synthesized using probiotic bacteria (Lactobacillus fermentum) as the reducing and capping agent. Several analytical methods, including Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), ultraviolet&ndash;visible spectroscopy (UV&ndash;Vis), and atomic force microscopy (AFM), were used to analyze the produced ZnO NPs. The SEM analysis confirmed the spherical form of the nanoparticles and estimated their average size to be between 100 and 120 nm. FT-IR analysis verified that the ZnO NPs&rsquo; surfaces contained many functional groups. X-ray diffraction examination evidenced that the biogenically produced nanoparticles were crystalline. AFM analysis revealed that the nanoparticles&rsquo; size was about 90&ndash;100 nm. The maximum absorption peak, determined via a UV&ndash;visible spectrophotometer, was 510 nm. The synthesized ZnO NPs&rsquo; antimicrobial activity against various bacterial strains was tested, and the highest level of antimicrobial activity was noted against a Vibrio harveyi strain. The maximum concentration, namely, 20 mM of ZnO NPs, showed the highest antimicrobial activity. These observations indicate that the synthesized ZnO NPs possess remarkable antimicrobial potency. This method is an efficient, environmentally friendly, cost-effective approach for producing ZnO NPs that are useful for various biomedical applications

Preparation of Paclitaxel-Encapsulated Bio-Functionalized Selenium Nanoparticles and Evaluation of Their Efficacy against Cervical Cancer

The potentiality of nanomedicine in the cancer treatment being widely recognized in the recent years. In the present investigation, the synergistic effects of chitosan-modified selenium nanoparticles loaded with paclitaxel (PTX-chit-SeNPs) were studied. These selenium nanoparticles were tested for drug release analysis at a pH of 7.4 and 5.5, and further characterized using FTIR, DLS, zeta potential, and TEM to confirm their morphology, and the encapsulation of the drug was carried out using UPLC analysis. Quantitative evaluation of anti-cancer properties was performed via MTT analysis, apoptosis, gene expression analysis, cell cycle arrest, and over-production of ROS. The unique combination of phytochemicals from the seed extract, chitosan, paclitaxel, and selenium nanoparticles can be effectively utilized to combat cancerous cells. The production of the nanosystem has been demonstrated to be cost-effective and have unique characteristics, and can be utilized for improving future diagnostic approaches

Recent Developments in Heteroatom/Metal-Doped Carbon Dot-Based Image-Guided Photodynamic Therapy for Cancer

Carbon nanodots (CNDs) are advanced nanomaterials with a size of 2–10 nm and are considered zero-dimensional carbonaceous materials. CNDs have received great attention in the area of cancer theranostics. The majority of review articles have shown the improvement of CNDs for use in cancer therapy and bioimaging applications. However, there is a minimal number of consolidated studies on the currently developed doped CNDs that are used in various ways in cancer therapies. Hence, in this review, we discuss the current developments in different types of heteroatom elements/metal ion-doped CNDs along with their preparations, physicochemical and biological properties, multimodal-imaging, and emerging applications in image-guided photodynamic therapies for cancer

Preparation of Novel Nanoformulation to Enhance Efficacy in the Treatment of Cardiovascular Disease

Despite many efforts over the last few decades, cardiac-based drug delivery systems are experiencing major problems, such as the effective delivery of the precise amount of a drug. In the current study, an effort has been made to prepare a nano-herbformulation (NHF) to overcome the major problem of conventional intervention. Copper oxide-based NHF was prepared using plant extract of Alternanthera sessilis and characterized using physicochemical techniques such as Transmission electron microscopy (TEM), X-ray powder diffraction (XRD), Dynamic light scattering (DLS), UV-Vis spectroscopy, and Fourier-transform infrared spectroscopy (FTIR). TEM analysis revealed that spherical NHF obtained of size 20&ndash;50 nm. In addition, XRD and FTIR confirmed the presence of phytochemicals with biological properties over the surface of copper oxide-based NHF. It was demonstrated that dose-dependent antiapoptotic activity was shown against DOX-induced cardiomyocytes, where ROS levels were significantly reduced to 0.29% from 37.99%. The results of the flow cytometry analysis using PI and Annexin staining further confirmed the antiapoptotic activity of NHF against DOX-induced cardiomyocytes by ROS scavenging. Thus, NHF might be used for cardiovascular disease treatment