Binding site prediction between lysozyme and glucose-regulated protein 78, a hope to fight amyloidosis.

Amyloidosis is an extraordinarily vigorous and heterogeneous group of disorders that causes numerous organ failures due to the precipitation of misfolded proteins. Many of these damaged proteins are discarded before causing any fatal diseases due to the contribution of the protein quality control (PQC) system and its chaperons, including glucose-regulated protein (GRP78). One of the most important enzymatic proteins inside the body is lysozyme, which is reported to have many mutated variants that may cause amyloid fibrils.

Molecular dynamics simulations and MM-GBSA reveal a novel small molecule against Flu A RNA-dependent RNA polymerase.

The interaction between the C-terminal domain (CTD) of the polymerase acidic (PA) component of three Flu A RNA polymerases of different origins and three heptad repeats from human polymerase II CTD was computationally recreated. Then a unique pharmacological library was tested in order to target conserved active site residues in the three RNA-dependent RNA polymerase (RdRps) using a combination of molecular dynamics simulation and molecular docking. Results show that one compound (ZINC66032798) can effectively bind to the desired active site residues in each of the three RdRps.

In vivo dose measurements for tangential field-in-field ultra-hypofractionated breast radiotherapy.

Introduction: Ultra-hypofractionated radiotherapy (UHF-RT) mandates more accuracy in each part of the treatment cycle to maximize cure rates and minimize toxicities. In vivo dosimetry is a direct method for verifying overall treatment accuracy. This study evaluated uncertainties in the delivered dose of Hypofractionated (HF) and UHF Whole Breast Irradiation (WBI) and to analyze the accuracy of the workflow to pave the way for a wide-scale use of UHF-RT.

Dose-enhancement of MCF 7 cell line radiotherapy using silica-iron oxide nanocomposite.

Cancer radiotherapy is one of the most effective regimens of cancer treatments, but cancer cell radioresistance remains a concern. Radiosensitizers can selectively improve the efficacy of radiotherapy and reduce inherent damage. The purpose of this work is to evaluate the effect of silica-coated iron oxide magnetic nanoparticles (SIONPs) as a radiosensitizer and compare their therapeutic effect with that of Iron oxide magnetic nanoparticles (IONPs).

Target-filter combination effects on breast tissue characterization using mammographic X-rays: A Monte Carlo simulation study.

Background: Characterization of normal and malignant breast tissues using X-ray scattering techniques has shown promising results and applications.

Objective: To examine possibility of characterizing normal and malignant breast tissues using the scattered photon distribution of polyenergetic beams of 30 kV X-rays.

Methods: A Monte Carlo simulation is upgraded so that it is capable of simulating input mammographic X-ray spectra from different target-filter combinations, tracing photon transport, and producing the distribution of scattered photons.

Molecular dynamics simulations and MM-GBSA reveal novel guanosine derivatives against SARS-CoV-2 RNA dependent RNA polymerase.

According to the World Health Organization (WHO), SARS-CoV-2 is responsible for more than 5 M deaths and is reported in 223 countries infecting 250+ M people. Despite the current vaccination momentum, thousands of people die every day by COVID-19. Suggesting possible blockers of the viral RNA-dependent RNA polymerase is highly needed for potential effective therapeutics against SARS-CoV-2.

Interference of Chaga mushroom terpenoids with the attachment of SARS-CoV-2; in silico perspective.

Finding a potent inhibitor to the pandemic SARS-CoV-2 is indispensable nowadays. Currently, in-silico methods work as expeditious investigators to screen drugs for possible repurposing or design new ones. Targeting one of the possible SARS-CoV-2 attachment and entry receptors, Glucose-regulated protein 78 (GRP78), is an approach of major interest.

Novel adenosine derivatives against SARS-CoV-2 RNA-dependent RNA polymerase: an in silico perspective.

Background: SARS-CoV-2 is a newly emerged human coronavirus that severely affected human health and the economy. The viral RNA-dependent RNA polymerase (RdRp) is a crucial protein target to stop virus replication. The adenosine derivative, remdesivir, was authorized for emergency use 10 months ago by the United States FDA against COVID-19 despite its doubtful efficacy against SARS-CoV-2.

COVID-19 and Cell Stress.

The present century will undoubtedly be marked with the COVID-19 global health crisis. It is not time yet to talk about the total number of deaths and hospitalizations, as they are enormously growing daily. Understanding the nature of COVID-19-induced pneumonia is vital in order to deal with the associated health complications.

Image quality characteristics of myocardial perfusion SPECT imaging using state-of-the-art commercial software algorithms: evaluation of 10 reconstruction methods.

Myocardial perfusion imaging (MPI) is widely used as standard of care in patients with coronary artery disease. The availability of hybrid SPECT/CT imaging system and associated advanced reconstruction algorithms serve to improve diagnostic accuracy and enhances image quality of MPI. The aim of this work was to evaluate the relative performance of iterative reconstruction algorithms correcting for different combinations of image degrading factors versus filtered back projection on the quality of myocardial perfusion SPECT imaging.

Is 9-field IMRT superior to 7-field IMRT in the treatment of nasopharyngeal carcinoma?

Background: To evaluate the pros and cons of 9-field intensity modulated radiotherapy (IMRT) compared to 7-field IMRT in the treatment of nasopharyngeal carcinoma (NPC).

Methods: Ten NPC patients were treated with 7F-IMRT and 9F-IMRT. A dose prescription of 70 Gy was delivered in 35 fractions to gross planning target volume (PTV1).

RADIOECOLOGICAL IMPACT AND THE ASSOCIATED HAZARDS DUE TO NORM FROM OIL AND GAS PRODUCTION FACILITY IN THE WESTERN DESERT OF EGYPT.

An oil and gas production facility in the western desert of Egypt was investigated for possible radiation risks due to the routine operation. Radium-226, Radium-228 and Potassium-40 were assessed in the soil samples collected from the adjacent soakaway pond. The average 226Ra, 228Ra and 40K activity concentrations were 881.

Recognition of the gluconeogenic enzyme, Pck1, via the Gid4 E3 ligase: An in silico perspective.

Gluconeogenesis, the reverse process of glycolysis, is a favorable mechanism at conditions of glucose deprivation. Pck1 is a rate-limiting gluconeogenic enzyme, where its deficiency or mutation contributes to serious clinical situations as neonatal hypoglycemia and liver failure. A recent report confirms that Pck1 is a target for proteasomal degradation through its proline residue at the penultimate position, recognized by Gid4 E3 ligase, but with a lack of informative structural details.

Recognition of gluconeogenic enzymes; Icl1, Fbp1, and Mdh2 by Gid4 ligase: A molecular docking study.

The pro/N-degron pathway is an evolved protein degradation pathway through the ubiquitin-proteasome system. It is a vital pathway to attain protein homeostasis inside the liver cells with varying glucose levels. N-terminal proline exists in more than 300 proteins in Saccharomyces cerevisiae, but only three of them are the gluconeogenic enzymes; isocitrate lyase (Icl1), fructose-1,6-bisphosphatase (Fbp1), and malate dehydrogenase (Mdh2).

Magnetic nanoparticles-loaded liposomes as a novel treatment agent for iron deficiency anemia: In vivo study.

Iron deficiency anemia (IDA) is a major worldwide public health problem. This is due to its prevalence among infants, children, adolescents, pregnant and reproductive age women. Ferrous sulfate (FeSO) is the first line therapy for iron IDA.

Silica-coated iron oxide nanoparticles as a novel nano-radiosensitizer for electron therapy.

Aims: Conventional radiotherapy is mainly restricted by the low radiation absorption efficiency of tumors tissues and the hypoxic tumor cells radio-resistance. In this paper, novel nano-radiosensitizers, magnetic nanoparticles core coated with silica, were successfully prepared to overcome these limitations.

Main Methods: The prepared nanoparticles have been characterized by transmission electron microscope (TEM), Dynamic light scattering (DLS), atomic force microscope (AFM) and vibration sample magnetometer (VSM).

Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study.

In 2011, the FDA approved boceprevir as a hepatitis C virus (HCV) NS3 serine protease inhibitor. The sustained virological response rate for treatment with this approved compound is considerably low. Patients have not responded as much as expected to boceprevir therapy.

OCCUPATIONAL RADIATION DOSE TO NUCLEAR MEDICINE STAFF DUE TO TC99M, F18-FDG PET AND THERAPEUTIC I-131 BASED EXAMINATIONS.

The aim was to track the exposure to radiation workers in six nuclear medicine examinations. A number of 180 patients were recruited and external exposure was measured. Patients had undergone cardiac stress and rest, bone scan, I-131 therapy, Gallium-67 and FDG PET/CT imaging.

The risk of secondary cancer in pediatric medulloblastoma patients due to three-dimensional conformal radiotherapy and intensity-modulated radiotherapy.

Background: Craniospinal irradiation (CSI) is the standard radiation therapy treatment for medulloblastoma. The aim of this study was to estimate and compare the lifetime risk of radiation-induced secondary cancer in pediatric medulloblastoma patients using three-dimensional conformal radiotherapy (3D-CRT) and intensity-modulated radiotherapy (IMRT).

Materials And Methods: 3D-CRT and IMRT plans were performed for 10 CSI pediatric patients.

Targeting of Thymoquinone-loaded mesoporous silica nanoparticles to different brain areas: In vivo study.

Aims: Drug delivery to the brain is hindered by the blood-brain-barrier (BBB) that filters out most of drugs after systemic administration. Therefore, there is an urgent need to develop more efficient drug delivery systems to deliver pharmaceuticals to brain. In this work, the distribution and the effect of Thymoquinone (TQ) on different oxidative stress biomarkers in different brain areas, either in the free form or encapsulated in mesoposrous silica nanocarriers (MSNs) were systematically studied.

A comparative study of the efficiency of HCV NS3/4A protease drugs against different HCV genotypes using in silico approaches.

Aims: To investigate the efficacy of Direct Acting Antivirals (DAAs) in the treatment of different Hepatitis C Virus (HCV) genotypes.

Main Methods: Homology modeling is used to predict the 3D structures of different genotypes while molecular docking is employed to predict genotype - drug interactions (Binding Mode) and binding free energy (Docking Score).

Key Findings: Simeprevir (TMC435) and to a lesser degree MK6325 are the best drugs among the studied drugs.

Multifunctional Chitosan-Capped Gold Nanoparticles for enhanced cancer chemo-radiotherapy: An invitro study.

Over the last decade, chemo-radiotherapy represented a well-established paradigm for cancer treatment. Developing new strategies to promote the therapeutic efficacy while reducing toxic side effects of chemo-radiotherapy is a main research objective in cancer therapy. A promising new oncological strategy for enhancing chemo-radiotherapy against cancer involves the utilization of multifunctional nanoparticles (nanocarriers and radiosensitizers).