Computational Study of pKa shift of Aspartate residue in Thioredoxin: Role of Configurational Sampling and Solvent Model [PDF]
Alchemical free energy calculations are widely used in predicting pKa, and binding free energy calculations in biomolecular systems. These calculations are carried out using either Free Energy Perturbation (FEP) or Thermodynamic Integration (TI). Numerous efforts have been made to improve the accuracy and efficiency of such calculations, especially by ...
arxiv
A biomimetic nanomedicine (RBLN) constructed by loading natural antioxidants to clinically used layered double hydroxide nanoparticles is surface coated with fresh or senescent red blood cell membrane for balanced drug delivery to hepatocytes and KCs, thereby simultaneously alleviating liver oxidant stress and inflammation for effective drug‐induced ...
Jiahui Shao+8 more
wiley +1 more source
The evaluation of liver fibrosis regression in chronic hepatitis C patients after the treatment with direct-acting antiviral agents – A review of the literature [PDF]
The second-generation of direct-acting antiviral agents are the current treatment for chronic viral hepatitis C infection. To evaluate the regression of liver fibrosis in patients receiving this therapy, liver biopsy remains the most accurate method, but
Alexescu, Teodora G+12 more
core +1 more source
The Effect of Multiple Imputation of Routine Pathology Variables on Laboratory Diagnosis of Hepatitis C Infection [PDF]
Pathology tests are central to modern healthcare in terms of diagnosis and patient management. Aggregated pathology results provide opportunities for research into fundamental and applied questions in health and medicine, but data analytic challenges appear since test profiles vary between medical practitioners, resulting in missing data. In this study
arxiv
Synthetic Strategy for mRNA Encapsulation and Gene Delivery with Nanoscale Metal‐Organic Frameworks
This research utilizes the ZIF‐8 for the encapsulation and intracellular delivery of nucleic acids, specifically mRNA, for applications in gene delivery. Integrating PEI addresses the issue of mRNA leakage from ZIF‐8, resulting in the delivery and expression of green fluorescent protein (GFP) in vitro and firefly luciferase in vivo.
Harrison Douglas Lawson+12 more
wiley +1 more source
The role of metal ions in the uptake of aspartate aminotransferase and malate dehydrogenase into isolated rat liver mitochondria in vitro [PDF]
To gain further insight into the mitochondrial receptor area which allows selective uptake of both purified aspartate aminotransferase and malate dehydrogenase into mitochondria, the inhibition of metal complexing agents such as bathophenanthroline and ...
Atlante, A.+4 more
core +1 more source
Sampling the protonation states: pH-dependent UV absorption spectrum of a polypeptide dyad [PDF]
When a chromophore interacts with titrable molecular sites, the modeling of its photophysical properties requires to take into account all their possible protonation states. We have developed a multi-scale protocol, based on constant-pH molecular dynamics simulations coupled to QM/MM excitation energy calculations, aimed at sampling both the phase ...
arxiv +1 more source
Schematic illustration of the mechanism of targeted delivery of nanoparticles including 1) paracellular, 2) endolysosomal escape, 3) receptor mediated endocytosis, and 4) M cell mediated transport for non‐GI diseases by oral administration such as atherosclerosis, cancer, diabetes, and brain diseases. Abstract Oral drug delivery is a promising approach
Subarna Ray+2 more
wiley +1 more source
Cholecystitis & An Enzyme Study [PDF]
Cholecystitis is inflammation of the gallbladder that develops in short time usually when gallstone obstructs the cystic duct. Patients over the passage of time land to chronic cholecystitis.
Anil Batta, Int J Cur Biomed Phar Res.
core
BACKGROUND Alcoholic liver disease is one of the most frequently diagnosed liver problems in the hospitalized patients in most tertiary care hospitals all over the world .The diagnosis of alcoholic liver disease is most of the time clinical.
R. Gurung+3 more
semanticscholar +1 more source