A thorough analysis of the protein interaction partners of the yeast GTPase Gsp1p was carried out by a multidimensional chromatography strategy of strong cation exchange fractionation of peptides followed by reverse phase LC-ESI-MSMS using a QSTAR instrument. This dataset was then analyzed using the latest developmental version of Protein Prospector. The Prospector search results were also compared with results from the search engine "Mascot" using a new results comparison program within Prospector named "SearchCompare." The results from this study demonstrate that the high quality data produced on a quadrupole selecting, quadrupole collision cell, time-of-flight (QqTOF) geometry instrument allows for confident assignment of the vast majority of interpretable spectra by current search engines.
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http://dx.doi.org/10.1074/mcp.D500002-MCP200 | DOI Listing |
J Chromatogr B Analyt Technol Biomed Life Sci
December 2024
Division of Clinical Pharmacology, Department of Medicine, University of Cape Town, Cape Town, South Africa. Electronic address:
A robust LC-MS/MS method was developed to quantify total and unbound doravirine in plasma samples from patients receiving daily doses of 100 mg doravirine, in combination with lamivudine and tenofovir disoproxil fumarate, in a phase 3 clinical trial. The trial is ongoing, and sample analysis is planned to commence once all samples have been collected. The method was validated to quantify both total and unbound doravirine using a single calibration curve.
View Article and Find Full Text PDFAnal Chem
January 2025
Pukou Hospital of Chinese Medicine Affiliated to China Pharmaceutical University, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China.
Inflammation, a central process in numerous diseases, plays a crucial role in hepatic disorders, arthritis, cardiac conditions, and neurodegenerative ailments. Given the lack of effective anti-inflammatory drugs, it is imperative to assess inflammation severity and explore novel therapeutics. Selenocysteine (Sec), a key mediator of selenium's biological function, is closely involved in anti-inflammatory responses.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, U.K.
Mechanisms of anion permeation within ion channels and nanopores remain poorly understood. Recent cryo-electron microscopy structures of the human bestrophin 1 Cl channel (hBest1) provide an opportunity to evaluate ion interactions predicted by molecular dynamics (MD) simulations against experimental observations. Here, we implement the fully polarizable force field AMOEBA in MD simulations on different conformations of hBest1.
View Article and Find Full Text PDFFront Pharmacol
December 2024
Department of Pharmacy, Taihe Hospital, Hubei University of Medicine, Shiyan, China.
Introduction: MRTX1133 is a selective and reversible small molecule inhibitor of KRAS (G12D), which significantly delays the progression of solid tumors. However, no study on the absorption, distribution, and excretion of MRTX1133.
Methods: A fast ultra-high performance liquid chromatography-tandem quadrupole mass spectrometry method was developed for the determination of MRTX1133 in rat plasma, tissue homogenate, and urine.
Biomed Chromatogr
February 2025
Yangzhou University Medical College, Jiangsu Key Laboratory of Experimental & Translational Non-coding RNA Research, Institute of Translational Medicine, Yangzhou University, Yangzhou, Jiangsu Province, China.
Mobocertinib is a potent selective tyrosine kinase inhibitor approved for the treatment of non-small cell lung cancer with activating EGFR exon 20 insertions. The aim of this study was to develop a procedure for liquid chromatography tandem mass spectrometry (LC-MS/MS) for the determination of mobocertinib and its metabolite desmethyl-mobocertinib in human plasma. The human plasma samples were precipitated with acetonitrile and analyzed using a Waters ACQUITY BEH C column coupled to a triple quadrupole mass spectrometer.
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