Screening Asian Medicinal Plants for SARS-CoV-2 Inhibitors: A Computational Approach.

SARS-CoV-2 led to deadly and adverse impacts in the recent outbreak in 2019 due to the lack of effective treatments. The current study aimed to evaluate the potential of antiviral compounds found in Asian medicinal plants for the inhibition of SARS-CoV-2's main protease and spike glycoprotein. An in-house library of 335 antiviral natural products was prepared from the selected medicinal plants.

Exploring the genomic potential of Kytococcus schroeteri for antibacterial metabolites against multi-drug resistant Mycobacterium tuberculosis.

The versatile bacterium Kytococcus schroeteri is known for producing putative secondary metabolites. These include antimicrobials and other therapeutically significant compounds. The emergence of antibiotic-resistant pathogens has necessitated the exploration of possible sources for novel drug candidates.

Vortex-Assisted Magnetic Solid-Phase Extraction of Heavy Metals in Water and Food Samples Using Iron Oxide Nanoparticle-Impregnated Carboxymethyl-β-Cyclodextrin.

The excessive accumulation of heavy metals has adverse effects on the human body. Here, magnetic iron oxide-impregnated carboxymethyl-β-cyclodextrin was synthesized. The synthesized material was employed as a magnetic solid-phase extracting adsorbent for specific heavy metals like lead (Pb), nickel (Ni), copper (Cu), and cobalt (Co).

Rational design of novel peptide-based vaccine against the emerging OZ virus.

Oz virus (OZV) belongs to the Orthomyxoviridae family which includes viruses with a negative-sense, single-stranded, and segmented RNA genome. OZV is a zoonotic pathogen, particularly since the virus can cause deadly illness when injected intracerebrally into nursing mice. OZV is an emerging pathogen with the potential to spark a pandemic as there is no preventive and licensed treatment against this virus.

Optical detection of uric acid based on a citric acid functionalized copper-doped biochar nanozyme.

Uric acid is the end product of purine metabolism and is a key biomarker for various diseases. Under normal conditions, there is a balance between its production and excretion. Its higher concentration can cause inflammation and severe pain, which makes it necessary to monitor its level for the diagnosis, management, and treatment of various pathological conditions.

Development of a subunit vaccine against the cholangiocarcinoma causing : a computational approach.

is the etiological agent of the disease opisthorchiasis and related cholangiocarcinoma (CCA). It infects fish-eating mammals and more than 10 million people in Southeast Asia suffered from opisthorchiasis with a high fatality rate. The only effective drug against this parasite is Praziquantel, which has significant side effects.

Modulation in serum and hematological parameters as a prognostic indicator of COVID-19 infection in hypertension, diabetes mellitus, and different cardiovascular diseases.

SARS-CoV-2 infection affects and modulates serum as well as hematological parameters. However, whether it modifies these parameters in the existing disease conditions, which help in the erection of specific treatments for the disease, is under investigation. Here, we aimed to determine whether serum and hematological parameters alteration in various diseases, diabetes mellitus (DM), hypertension (HTN), ischemic heart disease (IHD) and myocardial infarction (MI) conditions correlate and signal SARS-CoV-2 infection, which could be used as a rapid diagnosis tool for SARS-CoV-2 infection in disease conditions.

resin-mediated gold nanoparticles as catalysts in organic dyes degradation and sensors in pharmaceutical pollutants.

In this study, green synthesis of gold nanoparticles (AuNPs) using aqueous extract from resin (HCR) is reported. The successful formation, functional group involvement, size, and morphology of the subject resin mediated gold nanoparticles (HCRAuNPs) were confirmed by Ultra Violet-Visible (UV-vis) spectroscopy, Fourier-Transform Infrared spectroscopy (FTIR), and Transmission Electron Microscopy (TEM) techniques. Stable and high yield of HCRAuNPs was formed in 1:15 (aqueous solution: salt solution) reacted in sunlight as indicated by the visual colour change and appearance of surface Plasmon resonance (SPR) at 560 nm.

Nanozyme-based sensing of dopamine using cobalt-doped hydroxyapatite nanocomposite from waste bones.

Dopamine is one of the most important neurotransmitters and plays a crucial role in various neurological, renal, and cardiovascular systems. However, the abnormal levels of dopamine mainly point to Parkinson's, Alzheimer's, cardiovascular diseases, etc. Hydroxyapatite (HAp), owing to its catalytic nature, nanoporous structure, easy synthesis, and biocompatibility, is a promising matrix material.

Identification of Novel Quinolone and Quinazoline Alkaloids as Phosphodiesterase 10A Inhibitors for Parkinson's Disease through a Computational Approach.

Phosphodiesterases (PDEs) are vital in signal transduction, specifically by hydrolyzing cAMP and cGMP. Within the PDE family, PDE10A is notable for its prominence in the striatum and its regulatory function over neurotransmitters in medium-spiny neurons. Given the dopamine deficiency in Parkinson's disease (PD) that affects striatal pathways, PDE10A inhibitors could offer therapeutic benefits by modulating D1 and D2 receptor signaling.

Decrypting the multi-genome data for chimeric vaccine designing against the antibiotic resistant Yersinia pestis.

Yersinia pestis, the causative agent of plague, is a gram-negative bacterium that can be fatal if not treated properly. Three types of plague are currently known: bubonic, septicemic, and pneumonic plague, among which the fatality rate of septicemic and pneumonic plague is very high. Bubonic plague can be treated, but only if antibiotics are used at the initial stage of the infection.

Uric acid quantification colorimetric detection utilizing silver oxide-modified activated carbon nanoparticles functionalized with ionic liquid.

Uric acid (UA) is a significant indicator of human health because it is linked to several diseases, including renal failure, kidney stones, arthritis, and gout. Uric acid buildup in the joints is the source of chronic and painful diseases. When UA is present in large quantities, it causes tissue injury in the joints that are afflicted.

Colorimetric sensing of hydrogen peroxide using capped -sawdust deposited zinc oxide nanoparticles via extract.

Hydrogen peroxide (HO) is one of the main byproducts of most enzymatic reactions, and its detection is very important in disease conditions. Due to its essential role in healthcare, the food industry, and environmental research, accurate HO determination is a prerequisite. In the present work, Morus nigra zinc oxide (ZnO) nanoparticles (NPs) were synthesized by the use of Trigonella foenum extract via a hydrothermal process.

In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2.

Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of COVID-19 pandemic, which has resulted in global fatalities since late December 2019. Alkaloids play a significant role in drug design for various antiviral diseases, which makes them viable candidates for treating COVID-19. To identify potential antiviral agents, 102 known alkaloids were subjected to docking studies against the two key targets of SARS-CoV-2, namely the spike glycoprotein and main protease.

Mechanical properties, and biocompatibility assessment of biomimetic dual layered keratin/ hydroxyapatite scaffolds.

A novel biomimetic dual layered keratin/hydroxyapatite (keratin/HA) scaffold was designed using iterative freeze-drying technique. The prepared scaffolds were studied using several analytical techniques to better understand the biological, structural, and mechanical properties. The developed multilayered, interconnected, porous keratin scaffold with different hydroxyapatite (HA) content in the outer and inner layer, mimics the inherent gradient structure of alveolar bone.

Corrigendum: Structural informatics approach for designing an epitope-based vaccine against the brain-eating .

[This corrects the article DOI: 10.3389/fimmu.2023.

Computer-aided identification of resuscitation-promoting factor B (RpfB) inhibitors from natural products.

Tuberculosis (TB), an infectious disease caused by multi-drug resistant (Mtb), has been a global health concern. Mtb affects over a third of the world's population, causing two million deaths annually due to its dormancy and propensity to spread infection during this period. Resuscitation-promoting factor B (RpfB) plays a pivotal role in the growth of Mtb during dormant periods, making it a critical target for eliminating Mtb and curing TB.

Paracetamol-Mediated Synthesis of Silver Nanoparticles and Their Functionalization with Ionic Liquid for the Colorimetric Biosensing of Ascorbic Acid.

Ascorbic acid is a vital biomolecule for human beings. When the body's level of ascorbic acid is abnormal, it can lead to a number of illnesses. Its appropriate concentration is necessary for the oxidation of prostaglandins and cyclic adenosine monophosphate, the production of dopamine, norepinephrine, epinephrine, and carnitine, and the expansion and durability of the collagen triple helix in humans.

Deciphering the Immunogenicity of Monkeypox Proteins for Designing the Potential mRNA Vaccine.

The Monkeypox virus (MPXV), an orthopox virus, is responsible for monkeypox in humans, a zoonotic disease similar to smallpox. This infection first appeared in the 1970s in humans and then in 2003, after which it kept on spreading all around the world. To date, various antivirals have been used to cure this disease, but now, MPXV has developed resistance against these, thus increasing the need for an alternative cure for this deadly disease.

Structural informatics approach for designing an epitope-based vaccine against the brain-eating .

Primary Amoebic Meningoencephalitis (PAM), a severe lethal brain disease, is caused by a parasite, , also known as the "brain-eating amoeba". The chances of a patient's recovery after being affected by this parasite are very low. Only 5% of people are known to survive this life-threatening infection.