Nanoformulation-by-design: an experimental and molecular dynamics study for polymer coated drug nanoparticles

hydrochlorothiazide detection in urine samples by hplc-dad and experimental design dispersive l-l microextraction

hydrochlorothiazide (hct) is a diuretic agent which is shown to be effective in the treatment of hypertension. literature reports have demonstrated that urinary excretion data may be used to assess the bioavailability of various formulations containing this thiazide. also hct consumption by the athletes is one of the drugs which should be regulated by world anti-doping agency (wada), because of...

A comprehensive study of HSA interaction with TMP using molecular docking and molecular dynamics methods: as an appropriate tool for drug delivery systems

Background: Human serum albumin (HSA) is one of the most prominent protein in human blood. Trimethoprim (TMP) is an efficient antibiotic drug for treatment of pneumocystis pneumonia (PCP). Patients with HIV/AIDS and cancer are extremely affected by the disease due to immune system deficiency. Objective: The aim of this study is to evaluate the molecular dynamics simulation (MD) of HSA with TMP...

ph-responsive and macrophage evading low molecular weight chitosan coated nanoparticles for tumor-specific drug delivery

Molecular dynamics in drug design.

Molecular dynamics (MD) simulations are useful tools for structure-based drug design. We review recent publications in which explicit solvent MD was used at the initial or final stages of high-throughput docking campaigns. In some cases, MD simulations of the protein target have been carried out before docking to generate a conformer of the protein which differs from the available crystal struc...

Coalescence kinetics of bare and hydrogen-coated silicon nanoparticles: A molecular dynamics study

One of the significant challenges in the use of nanoparticles is the control of primary particle size and extent of agglomeration when grown from the gas phase. In this paper we consider the role of surface passivation of the rate of nanoparticle coalescence. We have studied the coalescence of bare and H-coated silicon nanoparticles of sizes between 2–6 nm using molecular dynamics simulation at...