Results 1 to 10 of about 24,545 (120)

In memoriam - Konstantin Tsinman (1968 - 2020)

ADMET and DMPK, 2022
In memory of Konstantin Tsinman - Chief Scientific Officer at Pion Inc.,
Alex Avdeef
doaj   +1 more source

Anomalous salting-out, self-association and pKa effects in the practically-insoluble bromothymol blue

ADMET and DMPK, 2023
Background and Purpose: The widely-used and practically insoluble diprotic acidic dye, bromothymol blue (BTB), is a neutral molecule in strongly acidic aqueous solutions.
Alex Avdeef
doaj   +1 more source

Diversifying the chloroquinoline scaffold against SARS-COV-2 main protease: Virtual screening approach using cross-docking, sitemap analysis and molecular dynamics simulation [PDF]

Journal of the Serbian Chemical Society, 2023
The absence of designated remedies for coronavirus disease 19 (Covid-19) and the lack of treatment protocols drove scientists to propose new small molecules and to attempt to repurpose existing drugs against various targets of severe acute respiratory ...
Aissaoui Mohamed, Belhani Billel, Boulebnane Abdelmoumen, Bouzina Abdeslem, Djilani Salah Eddine   +4 more
doaj   +1 more source

In Silico Pharmacokinetics Study of 2,5-Dibenzylidenecyclopentanone Analogs as Mono-Ketone Versions of Curcumin [PDF]

BIO Web of Conferences, 2023
The absorption-distribution-metabolism-excretion (ADME) profile is a crucial parameter that indicates the pharmacokinetics of the drug. The pharmacokinetic properties of a drug represent the fate of the drug in the body.
Marbun Prajona, Hakim Arief Rahman, Sri Octa Ujiantari Navista, Sulistyo Ari Sudarmanto Bambang, Endro Nugroho Agung   +4 more
doaj   +1 more source

Thickness of the aqueous boundary layer in stirred microtitre plate permeability assays (PAMPA and Caco-2), based on the Levich equation

ADMET and DMPK, 2022
The stirring frequency exponent of -1/2 in the theoretical Levich expression appears to apply to PAMPA and Caco-2 assays, where efficient individual-well magnetic stirring ( > 20 RPM) is used.
Alex Avdeef
doaj   +1 more source

An integrated assessment of the ADME properties of the CDK4/6 Inhibitor ribociclib utilizing preclinical in vitro, in vivo, and human ADME data

Pharmacology Research & Perspectives, 2020
Ribociclib (LEE011, Kisqali ®) is a highly selective small molecule inhibitor of cyclin‐dependent kinases 4 and 6 (CDK4/6), which has been approved for the treatment of advanced or metastatic breast cancer.
Alexander D. James, Hilmar Schiller, Cyrille Marvalin, Yi Jin, Hubert Borell, Ad F. Roffel, Ulrike Glaenzel, Yan Ji, Gian Camenisch   +8 more
doaj   +1 more source

Uptake Transporters at the Blood–Brain Barrier and Their Role in Brain Drug Disposition

Pharmaceutics, 2023
Uptake drug transporters play a significant role in the pharmacokinetic of drugs within the brain, facilitating their entry into the central nervous system (CNS).
Md Masud Parvez, Armin Sadighi, Yeseul Ahn, Steve F. Keller, Julius O. Enoru   +4 more
doaj   +1 more source

The Forbidden Reward. The Emergence of Parent-Child Conflicts About Food Over Time and the Influence of Parents' Communication Strategies and Feeding Practices

Frontiers in Public Health, 2021
One of the most critical arenas for conflicts between parents and their children relates to food. Although parent-child conflicts about food are a real occurrence, this form of parent-child interaction has been rarely examined.
Ines Spielvogel, Brigitte Naderer, Alice Binder, Jörg Matthes   +3 more
doaj   +1 more source

Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2

Cumhuriyet Science Journal, 2023
Eight boron compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-311G(d) level in the water. Active sites of these compounds are determined using contour plots of frontier molecular orbital, molecular ...
Hilmi Ataseven, Koray Sayın
doaj   +1 more source

Cocrystal solubility-pH and drug solubilization capacity of sodium dodecyl sulfate – mass action model for data analysis and simulation to improve design of experiments

ADMET and DMPK, 2018
This review discusses the disposition of the anionic surfactant, sodium dodecyl sulfate (SDS; i.e., sodium lauryl sulfate), to solubilize sparingly-soluble drugs above the surfactant critical micelle concentration (CMC), as quantitated by the ...
Alex Avdeef
doaj   +1 more source